N E dE d eps ncg rms rms(c) DAV: 1 0.146946746741E+05 0.14695E+05 -0.60808E+05 1440 0.173E+03 DAV: 2 0.966704119082E+03 -0.13728E+05 -0.13260E+05 1984 0.374E+02 DAV: 3 -0.141374423588E+04 -0.23804E+04 -0.23717E+04 1632 0.164E+02 DAV: 4 -0.149897614942E+04 -0.85232E+02 -0.84935E+02 1728 0.345E+01 DAV: 5 -0.150216591834E+04 -0.31898E+01 -0.31863E+01 2080 0.585E+00 0.179E+02 DAV: 6 -0.132306645108E+04 0.17910E+03 -0.73620E+02 1728 0.305E+01 0.109E+02 DAV: 7 -0.132041490940E+04 0.26515E+01 -0.19709E+02 1824 0.124E+01 0.294E+01 DAV: 8 -0.134006311801E+04 -0.19648E+02 -0.10277E+03 1664 0.913E+00 0.175E+01 DAV: 9 -0.132519455892E+04 0.14869E+02 -0.13647E+01 1664 0.433E+00 0.115E+01 DAV: 10 -0.131615963616E+04 0.90349E+01 -0.17694E+01 1696 0.347E+00 0.125E+01 DAV: 11 -0.131595159159E+04 0.20804E+00 -0.25365E+00 1696 0.123E+00 0.840E+00 DAV: 12 -0.131502118870E+04 0.93040E+00 -0.17294E+00 1952 0.812E-01 0.126E+01 DAV: 13 -0.131298692623E+04 0.20343E+01 -0.24511E+00 1760 0.128E+00 0.115E+01 DAV: 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0.304E-01 0.375E+00 DAV: 27 -0.131067725384E+04 0.43870E-01 -0.20020E-01 1568 0.145E-01 0.183E+00 DAV: 28 -0.131067199886E+04 0.52550E-02 -0.23146E-01 1600 0.953E-02 0.372E+00 DAV: 29 -0.131064219496E+04 0.29804E-01 -0.73939E-03 1664 0.745E-02 0.373E+00 DAV: 30 -0.131061523630E+04 0.26959E-01 -0.48555E-03 1600 0.546E-02 0.331E+00 DAV: 31 -0.131061255255E+04 0.26837E-02 -0.87389E-02 1600 0.172E-01 0.483E+00 DAV: 32 -0.131060140152E+04 0.11151E-01 -0.71569E-03 1696 0.605E-02 0.459E+00 DAV: 33 -0.131055991410E+04 0.41487E-01 -0.20051E-02 1536 0.379E-02 0.278E+00 DAV: 34 -0.131058916890E+04 -0.29255E-01 -0.18192E-02 1568 0.471E-02 0.411E+00 DAV: 35 -0.131056946409E+04 0.19705E-01 -0.51118E-03 1440 0.230E-02 0.323E+00 DAV: 36 -0.131054964741E+04 0.19817E-01 -0.22912E-02 1248 0.266E-02 0.158E+00 DAV: 37 -0.131054874851E+04 0.89890E-03 -0.42087E-02 1376 0.457E-02 0.514E-01 DAV: 38 -0.131054913673E+04 -0.38822E-03 -0.24796E-04 1152 0.191E-02 0.511E-01 DAV: 39 -0.131054847332E+04 0.66341E-03 -0.13836E-03 1184 0.101E-02 0.552E-01 DAV: 40 -0.131054965347E+04 -0.11802E-02 -0.16885E-02 1280 0.223E-02 0.880E-01 DAV: 41 -0.131054821701E+04 0.14365E-02 -0.21009E-03 1184 0.199E-02 0.433E-01 DAV: 42 -0.131054860225E+04 -0.38524E-03 -0.29994E-04 1152 0.102E-02 0.277E-01 DAV: 43 -0.131055041359E+04 -0.18113E-02 -0.21947E-03 1120 0.114E-02 0.777E-01 DAV: 44 -0.131054969030E+04 0.72328E-03 -0.86883E-04 1152 0.103E-02 0.461E-01 DAV: 45 -0.131054965401E+04 0.36287E-04 -0.22052E-04 1120 0.553E-03 1 F= -.13304500E+04 E0= -.13303619E+04 d E =-.133045E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.129614556400E+04 0.14404E+02 -0.20015E+03 1408 0.591E+01 0.837E+01 DAV: 2 -0.130286436268E+04 -0.67188E+01 -0.97124E+01 1760 0.115E+01 0.192E+01 DAV: 3 -0.130448688113E+04 -0.16225E+01 -0.10926E+02 1984 0.624E+00 0.180E+01 DAV: 4 -0.130251011025E+04 0.19768E+01 -0.17000E+01 1888 0.322E+00 0.142E+01 DAV: 5 -0.130263506095E+04 -0.12495E+00 -0.32856E+01 1664 0.258E+00 0.160E+01 DAV: 6 -0.130260089534E+04 0.34166E-01 -0.65500E+01 1664 0.251E+00 0.138E+01 DAV: 7 -0.130167665228E+04 0.92424E+00 -0.33582E+01 1824 0.289E+00 0.533E+00 DAV: 8 -0.130092665442E+04 0.75000E+00 -0.11781E+00 1632 0.127E+00 0.346E+00 DAV: 9 -0.130066261597E+04 0.26404E+00 -0.13760E+00 1824 0.826E-01 0.306E+00 DAV: 10 -0.130056495776E+04 0.97658E-01 -0.56510E-01 1728 0.445E-01 0.215E+00 DAV: 11 -0.130059363754E+04 -0.28680E-01 -0.19645E-01 1792 0.222E-01 0.379E+00 DAV: 12 -0.130057813589E+04 0.15502E-01 -0.29503E+00 1824 0.589E-01 0.359E+00 DAV: 13 -0.130054577046E+04 0.32365E-01 -0.24307E-01 1632 0.261E-01 0.210E+00 DAV: 14 -0.130054329338E+04 0.24771E-02 -0.13916E-01 1760 0.172E-01 0.294E+00 DAV: 15 -0.130050795788E+04 0.35336E-01 -0.30667E-02 1696 0.112E-01 0.212E+00 DAV: 16 -0.130050052492E+04 0.74330E-02 -0.23894E-03 1600 0.475E-02 0.202E+00 DAV: 17 -0.130047667931E+04 0.23846E-01 -0.20051E-02 1824 0.112E-01 0.161E+00 DAV: 18 -0.130046447054E+04 0.12209E-01 -0.16678E-02 1760 0.862E-02 0.111E+00 DAV: 19 -0.130046041872E+04 0.40518E-02 -0.67693E-03 1728 0.545E-02 0.861E-01 DAV: 20 -0.130045795571E+04 0.24630E-02 -0.62186E-02 1664 0.892E-02 0.413E-01 DAV: 21 -0.130045778785E+04 0.16786E-03 -0.29141E-03 1600 0.418E-02 0.245E-01 DAV: 22 -0.130045900495E+04 -0.12171E-02 -0.64474E-03 1536 0.444E-02 0.400E-01 DAV: 23 -0.130045895300E+04 0.51958E-04 -0.90771E-04 1216 0.214E-02 2 F= -.13203209E+04 E0= -.13202695E+04 d E =0.101291E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.131048441919E+04 -0.10025E+02 -0.94184E+02 1408 0.412E+01 0.554E+01 DAV: 2 -0.131972644165E+04 -0.92420E+01 -0.19051E+02 1760 0.103E+01 0.270E+01 DAV: 3 -0.131648912807E+04 0.32373E+01 -0.56840E+01 1856 0.440E+00 0.215E+01 DAV: 4 -0.131362424833E+04 0.28649E+01 -0.87847E+00 1632 0.295E+00 0.204E+01 DAV: 5 -0.131549821356E+04 -0.18740E+01 -0.63111E+01 1728 0.238E+00 0.171E+01 DAV: 6 -0.131360476361E+04 0.18934E+01 -0.21036E+01 1696 0.179E+00 0.137E+01 DAV: 7 -0.131529902553E+04 -0.16943E+01 -0.37649E+01 1696 0.253E+00 0.169E+01 DAV: 8 -0.131452542201E+04 0.77360E+00 -0.15145E+01 1920 0.146E+00 0.123E+01 DAV: 9 -0.131417377132E+04 0.35165E+00 -0.12583E+01 1824 0.117E+00 0.145E+01 DAV: 10 -0.131324082424E+04 0.93295E+00 -0.10012E+01 1856 0.842E-01 0.770E+00 DAV: 11 -0.131298045328E+04 0.26037E+00 -0.13374E+01 1696 0.672E-01 0.827E+00 DAV: 12 -0.131259620244E+04 0.38425E+00 -0.43519E-01 1696 0.355E-01 0.475E+00 DAV: 13 -0.131256408828E+04 0.32114E-01 -0.25520E-01 1696 0.159E-01 0.291E+00 DAV: 14 -0.131256002344E+04 0.40648E-02 -0.31526E-02 1568 0.600E-02 0.308E+00 DAV: 15 -0.131255558720E+04 0.44362E-02 -0.17594E-02 1600 0.658E-02 0.272E+00 DAV: 16 -0.131251344659E+04 0.42141E-01 -0.18010E-01 1696 0.194E-01 0.140E+00 DAV: 17 -0.131250939240E+04 0.40542E-02 -0.98950E-03 1696 0.104E-01 0.105E+00 DAV: 18 -0.131250541360E+04 0.39788E-02 -0.15159E-02 1632 0.757E-02 0.674E-01 DAV: 19 -0.131250628059E+04 -0.86699E-03 -0.71648E-03 1600 0.577E-02 0.399E-01 DAV: 20 -0.131250642463E+04 -0.14404E-03 -0.75160E-03 1536 0.478E-02 0.582E-01 DAV: 21 -0.131250879246E+04 -0.23678E-02 -0.43312E-02 1504 0.351E-02 0.102E+00 DAV: 22 -0.131250602299E+04 0.27695E-02 -0.14540E-02 1312 0.310E-02 0.103E-01 DAV: 23 -0.131250659312E+04 -0.57013E-03 -0.82561E-04 1216 0.188E-02 0.139E-01 DAV: 24 -0.131250755584E+04 -0.96272E-03 -0.74139E-03 1152 0.164E-02 0.534E-01 DAV: 25 -0.131250705047E+04 0.50537E-03 -0.43829E-03 1120 0.134E-02 0.579E-02 DAV: 26 -0.131250740457E+04 -0.35410E-03 -0.20092E-04 1120 0.104E-02 0.583E-02 DAV: 27 -0.131250759355E+04 -0.18898E-03 -0.71464E-05 1120 0.649E-03 0.108E-01 DAV: 28 -0.131250777245E+04 -0.17891E-03 -0.27676E-04 1088 0.522E-03 0.182E-02 DAV: 29 -0.131250791175E+04 -0.13930E-03 -0.21542E-05 1120 0.424E-03 0.199E-02 DAV: 30 -0.131250798450E+04 -0.72750E-04 -0.17135E-05 1056 0.266E-03 3 F= -.13323978E+04 E0= -.13323212E+04 d E =-.194780E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131371607323E+04 -0.12082E+01 -0.43399E+02 1408 0.279E+01 0.107E+01 DAV: 2 -0.131665588124E+04 -0.29398E+01 -0.39902E+01 1664 0.519E+00 0.148E+01 DAV: 3 -0.131559217952E+04 0.10637E+01 -0.52112E+01 1952 0.273E+00 0.867E+00 DAV: 4 -0.131603487788E+04 -0.44270E+00 -0.23273E+01 1664 0.119E+00 0.753E+00 DAV: 5 -0.131481809242E+04 0.12168E+01 -0.39364E+00 1728 0.983E-01 0.462E+00 DAV: 6 -0.131488804054E+04 -0.69948E-01 -0.63580E+00 1760 0.128E+00 0.514E+00 DAV: 7 -0.131479390921E+04 0.94131E-01 -0.48723E+00 1600 0.723E-01 0.774E+00 DAV: 8 -0.131464516702E+04 0.14874E+00 -0.16507E+00 1824 0.478E-01 0.517E+00 DAV: 9 -0.131455259100E+04 0.92576E-01 -0.94689E-01 1600 0.256E-01 0.148E+00 DAV: 10 -0.131473785138E+04 -0.18526E+00 -0.25528E+00 1696 0.239E-01 0.501E+00 DAV: 11 -0.131463834368E+04 0.99508E-01 -0.57879E-02 1664 0.170E-01 0.422E+00 DAV: 12 -0.131455536788E+04 0.82976E-01 -0.14417E-01 1664 0.113E-01 0.214E+00 DAV: 13 -0.131454306416E+04 0.12304E-01 -0.69026E-02 1568 0.616E-02 0.533E-01 DAV: 14 -0.131454548163E+04 -0.24175E-02 -0.68712E-03 1472 0.389E-02 0.895E-01 DAV: 15 -0.131454319348E+04 0.22881E-02 -0.65527E-03 1344 0.473E-02 0.431E-01 DAV: 16 -0.131454320685E+04 -0.13376E-04 -0.13047E-02 1472 0.271E-02 0.285E-01 DAV: 17 -0.131454315806E+04 0.48796E-04 -0.24607E-03 1152 0.165E-02 0.512E-02 DAV: 18 -0.131454336392E+04 -0.20586E-03 -0.43881E-04 1056 0.140E-02 0.112E-01 DAV: 19 -0.131454343236E+04 -0.68443E-04 -0.81667E-05 1056 0.827E-03 4 F= -.13344248E+04 E0= -.13343610E+04 d E =-.202702E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131456285175E+04 -0.19488E-01 -0.93832E+00 1472 0.409E+00 0.155E+00 DAV: 2 -0.131464691442E+04 -0.84063E-01 -0.10367E+00 1632 0.780E-01 0.259E+00 DAV: 3 -0.131461052304E+04 0.36391E-01 -0.14002E+00 1824 0.438E-01 0.239E+00 DAV: 4 -0.131469989923E+04 -0.89376E-01 -0.17375E+00 1600 0.190E-01 0.381E+00 DAV: 5 -0.131458052463E+04 0.11937E+00 -0.55072E-01 1664 0.173E-01 0.397E-01 DAV: 6 -0.131458079527E+04 -0.27064E-03 -0.20257E-02 1664 0.110E-01 0.381E-01 DAV: 7 -0.131458021188E+04 0.58340E-03 -0.22008E-02 1856 0.830E-02 0.253E-01 DAV: 8 -0.131457972926E+04 0.48261E-03 -0.37432E-03 1568 0.399E-02 0.825E-02 DAV: 9 -0.131457976719E+04 -0.37926E-04 -0.27760E-04 1280 0.178E-02 5 F= -.13344572E+04 E0= -.13343945E+04 d E =-.205944E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131561689117E+04 -0.10372E+01 -0.10840E+02 1408 0.138E+01 0.637E+00 DAV: 2 -0.131760913344E+04 -0.19922E+01 -0.22867E+01 1632 0.248E+00 0.121E+01 DAV: 3 -0.131626320247E+04 0.13459E+01 -0.35993E+01 1664 0.995E-01 0.449E+00 DAV: 4 -0.131598377079E+04 0.27943E+00 -0.15206E+00 1824 0.740E-01 0.298E+00 DAV: 5 -0.131588858197E+04 0.95189E-01 -0.10476E+00 1920 0.627E-01 0.195E+00 DAV: 6 -0.131587300502E+04 0.15577E-01 -0.37294E-01 1824 0.286E-01 0.206E+00 DAV: 7 -0.131586688299E+04 0.61220E-02 -0.79123E-03 1568 0.845E-02 0.179E+00 DAV: 8 -0.131585221094E+04 0.14672E-01 -0.41919E-02 1600 0.975E-02 0.970E-01 DAV: 9 -0.131585869714E+04 -0.64862E-02 -0.36645E-01 1760 0.185E-01 0.280E+00 DAV: 10 -0.131582910078E+04 0.29596E-01 -0.71202E-02 1600 0.795E-02 0.689E-01 DAV: 11 -0.131582845897E+04 0.64181E-03 -0.49249E-03 1568 0.471E-02 0.810E-01 DAV: 12 -0.131582597774E+04 0.24812E-02 -0.25842E-02 1504 0.482E-02 0.406E-01 DAV: 13 -0.131582574623E+04 0.23151E-03 -0.13634E-03 1536 0.358E-02 0.289E-01 DAV: 14 -0.131582572621E+04 0.20017E-04 -0.42120E-03 1344 0.229E-02 0.131E-01 DAV: 15 -0.131582575438E+04 -0.28164E-04 -0.15442E-04 1152 0.117E-02 6 F= -.13356892E+04 E0= -.13356260E+04 d E =-.123203E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131606014707E+04 -0.23442E+00 -0.19005E+02 1408 0.183E+01 0.860E+00 DAV: 2 -0.131893521325E+04 -0.28751E+01 -0.34688E+01 1760 0.332E+00 0.131E+01 DAV: 3 -0.131717444999E+04 0.17608E+01 -0.55638E+01 1696 0.133E+00 0.493E+00 DAV: 4 -0.131681112328E+04 0.36333E+00 -0.53009E+00 1760 0.123E+00 0.657E+00 DAV: 5 -0.131665973135E+04 0.15139E+00 -0.56951E+00 1856 0.924E-01 0.283E+00 DAV: 6 -0.131657477262E+04 0.84959E-01 -0.24072E-01 1568 0.368E-01 0.224E+00 DAV: 7 -0.131655102235E+04 0.23750E-01 -0.58991E-01 1920 0.364E-01 0.280E+00 DAV: 8 -0.131647300341E+04 0.78019E-01 -0.51121E-01 1760 0.437E-01 0.299E+00 DAV: 9 -0.131645166580E+04 0.21338E-01 -0.66015E-02 1632 0.152E-01 0.150E+00 DAV: 10 -0.131645159054E+04 0.75255E-04 -0.41188E-02 1664 0.952E-02 0.217E+00 DAV: 11 -0.131644368792E+04 0.79026E-02 -0.27094E-02 1600 0.703E-02 0.126E+00 DAV: 12 -0.131643159100E+04 0.12097E-01 -0.78832E-02 1664 0.166E-01 0.718E-01 DAV: 13 -0.131643067570E+04 0.91530E-03 -0.63215E-03 1632 0.677E-02 0.326E-01 DAV: 14 -0.131643067728E+04 -0.15713E-05 -0.47348E-04 1408 0.272E-02 7 F= -.13362604E+04 E0= -.13361982E+04 d E =-.180322E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131725044067E+04 -0.81976E+00 -0.11102E+02 1408 0.140E+01 0.570E+00 DAV: 2 -0.131848846283E+04 -0.12380E+01 -0.17286E+01 1696 0.280E+00 0.109E+01 DAV: 3 -0.131752132404E+04 0.96714E+00 -0.15167E+01 1824 0.146E+00 0.290E+00 DAV: 4 -0.131742727606E+04 0.94048E-01 -0.28511E-01 1600 0.589E-01 0.154E+00 DAV: 5 -0.131762366869E+04 -0.19639E+00 -0.25029E+00 1600 0.465E-01 0.556E+00 DAV: 6 -0.131742261443E+04 0.20105E+00 -0.18504E+00 1600 0.339E-01 0.300E+00 DAV: 7 -0.131739606542E+04 0.26549E-01 -0.37577E-01 1856 0.239E-01 0.759E-01 DAV: 8 -0.131739666032E+04 -0.59491E-03 -0.62533E-02 1760 0.122E-01 0.116E+00 DAV: 9 -0.131740270657E+04 -0.60462E-02 -0.23940E-01 1568 0.846E-02 0.176E+00 DAV: 10 -0.131739253348E+04 0.10173E-01 -0.70510E-02 1568 0.526E-02 0.204E-01 DAV: 11 -0.131739313960E+04 -0.60613E-03 -0.97894E-04 1312 0.253E-02 0.336E-01 DAV: 12 -0.131739294617E+04 0.19343E-03 -0.10917E-03 1088 0.128E-02 0.117E-01 DAV: 13 -0.131739313176E+04 -0.18559E-03 -0.59309E-05 1056 0.934E-03 0.150E-01 DAV: 14 -0.131739319510E+04 -0.63340E-04 -0.34075E-04 1056 0.791E-03 8 F= -.13371674E+04 E0= -.13371085E+04 d E =-.906917E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.131759000115E+04 -0.19687E+00 -0.17727E+02 1408 0.177E+01 0.699E+00 DAV: 2 -0.131857502985E+04 -0.98503E+00 -0.13703E+01 1696 0.323E+00 0.854E+00 DAV: 3 -0.131820240573E+04 0.37262E+00 -0.14817E+01 1856 0.149E+00 0.537E+00 DAV: 4 -0.131859619963E+04 -0.39379E+00 -0.12977E+01 1600 0.910E-01 0.508E+00 DAV: 5 -0.131793636935E+04 0.65983E+00 -0.21222E+00 1696 0.790E-01 0.171E+00 DAV: 6 -0.131788262773E+04 0.53742E-01 -0.36674E-01 1632 0.657E-01 0.904E-01 DAV: 7 -0.131787418247E+04 0.84453E-02 -0.10414E-01 1728 0.352E-01 0.914E-01 DAV: 8 -0.131786894497E+04 0.52375E-02 -0.30854E-02 1568 0.189E-01 0.320E-01 DAV: 9 -0.131786851784E+04 0.42713E-03 -0.64690E-03 1600 0.908E-02 0.529E-01 DAV: 10 -0.131787216663E+04 -0.36488E-02 -0.59395E-02 1600 0.482E-02 0.117E+00 DAV: 11 -0.131786752930E+04 0.46373E-02 -0.46504E-02 1504 0.467E-02 0.175E-01 DAV: 12 -0.131786771005E+04 -0.18075E-03 -0.69486E-04 1312 0.242E-02 0.560E-02 DAV: 13 -0.131786786685E+04 -0.15680E-03 -0.62186E-04 1120 0.137E-02 0.117E-01 DAV: 14 -0.131786798513E+04 -0.11827E-03 -0.21997E-04 1056 0.101E-02 0.304E-02 DAV: 15 -0.131786809199E+04 -0.10686E-03 -0.17005E-05 1088 0.596E-03 0.252E-02 DAV: 16 -0.131786820284E+04 -0.11086E-03 -0.12710E-05 1056 0.429E-03 0.972E-03 DAV: 17 -0.131786831944E+04 -0.11660E-03 -0.94306E-06 1056 0.360E-03 0.374E-03 DAV: 18 -0.131786837625E+04 -0.56815E-04 -0.37029E-06 1056 0.239E-03 9 F= -.13375622E+04 E0= -.13375103E+04 d E =-.130180E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.131836176273E+04 -0.49344E+00 -0.75366E+01 1408 0.115E+01 0.472E+00 DAV: 2 -0.131907731321E+04 -0.71555E+00 -0.89993E+00 1664 0.222E+00 0.749E+00 DAV: 3 -0.131863902118E+04 0.43829E+00 -0.77342E+00 1728 0.103E+00 0.293E+00 DAV: 4 -0.131868877208E+04 -0.49751E-01 -0.14859E+00 1632 0.589E-01 0.366E+00 DAV: 5 -0.131855541941E+04 0.13335E+00 -0.21614E+00 1568 0.431E-01 0.173E+00 DAV: 6 -0.131853127710E+04 0.24142E-01 -0.37999E-01 1664 0.394E-01 0.205E+00 DAV: 7 -0.131854391379E+04 -0.12637E-01 -0.57983E-01 1728 0.214E-01 0.243E+00 DAV: 8 -0.131851928781E+04 0.24626E-01 -0.24135E-01 1600 0.116E-01 0.478E-01 DAV: 9 -0.131851778879E+04 0.14990E-02 -0.51488E-03 1504 0.603E-02 0.136E-01 DAV: 10 -0.131851987559E+04 -0.20868E-02 -0.98636E-03 1504 0.334E-02 0.793E-01 DAV: 11 -0.131851804053E+04 0.18351E-02 -0.17487E-02 1344 0.348E-02 0.307E-01 DAV: 12 -0.131851792809E+04 0.11244E-03 -0.33309E-03 1216 0.261E-02 0.182E-01 DAV: 13 -0.131851786866E+04 0.59423E-04 -0.48318E-04 1056 0.101E-02 10 F= -.13381497E+04 E0= -.13380986E+04 d E =-.587457E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.131860065323E+04 -0.82725E-01 -0.43125E+01 1408 0.869E+00 0.362E+00 DAV: 2 -0.131913005803E+04 -0.52940E+00 -0.64960E+00 1664 0.169E+00 0.676E+00 DAV: 3 -0.131876118871E+04 0.36887E+00 -0.49420E+00 1792 0.766E-01 0.241E+00 DAV: 4 -0.131877168505E+04 -0.10496E-01 -0.66652E-01 1632 0.437E-01 0.279E+00 DAV: 5 -0.131871473391E+04 0.56951E-01 -0.80803E-01 1696 0.331E-01 0.144E+00 DAV: 6 -0.131869293933E+04 0.21795E-01 -0.62451E-02 1696 0.270E-01 0.490E-01 DAV: 7 -0.131869703400E+04 -0.40947E-02 -0.17755E-02 1792 0.159E-01 0.623E-01 DAV: 8 -0.131869384340E+04 0.31906E-02 -0.77754E-03 1632 0.137E-01 0.250E-01 DAV: 9 -0.131869282607E+04 0.10173E-02 -0.27424E-03 1600 0.555E-02 0.242E-01 DAV: 10 -0.131869318881E+04 -0.36274E-03 -0.48576E-03 1472 0.329E-02 0.433E-01 DAV: 11 -0.131869284365E+04 0.34516E-03 -0.36743E-03 1152 0.287E-02 0.238E-01 DAV: 12 -0.131869272545E+04 0.11820E-03 -0.11011E-03 1120 0.172E-02 0.138E-01 DAV: 13 -0.131869277606E+04 -0.50608E-04 -0.10175E-04 1088 0.926E-03 11 F= -.13382759E+04 E0= -.13382254E+04 d E =-.713627E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.131911953676E+04 -0.42681E+00 -0.67145E+01 1408 0.108E+01 0.443E+00 DAV: 2 -0.131981818840E+04 -0.69865E+00 -0.90202E+00 1696 0.193E+00 0.564E+00 DAV: 3 -0.131939709720E+04 0.42109E+00 -0.54033E+00 1728 0.821E-01 0.380E+00 DAV: 4 -0.131942407962E+04 -0.26982E-01 -0.33684E+00 1696 0.578E-01 0.381E+00 DAV: 5 -0.131927718322E+04 0.14690E+00 -0.13982E+00 1664 0.417E-01 0.927E-01 DAV: 6 -0.131928697771E+04 -0.97945E-02 -0.25147E-01 1600 0.278E-01 0.238E+00 DAV: 7 -0.131929075597E+04 -0.37783E-02 -0.64289E-01 1696 0.201E-01 0.140E+00 DAV: 8 -0.131926668576E+04 0.24070E-01 -0.15474E-02 1632 0.123E-01 0.782E-01 DAV: 9 -0.131926228996E+04 0.43958E-02 -0.27563E-02 1824 0.113E-01 0.715E-01 DAV: 10 -0.131926075035E+04 0.15396E-02 -0.13245E-02 1568 0.517E-02 0.353E-01 DAV: 11 -0.131926142828E+04 -0.67793E-03 -0.10727E-02 1312 0.465E-02 0.662E-01 DAV: 12 -0.131926046922E+04 0.95906E-03 -0.85355E-04 1184 0.209E-02 0.429E-01 DAV: 13 -0.131925988060E+04 0.58862E-03 -0.14305E-03 1312 0.225E-02 0.760E-02 DAV: 14 -0.131925999341E+04 -0.11281E-03 -0.43524E-04 1184 0.130E-02 0.116E-01 DAV: 15 -0.131926009484E+04 -0.10143E-03 -0.55280E-05 1056 0.660E-03 0.171E-01 DAV: 16 -0.131926008378E+04 0.11055E-04 -0.11005E-05 1056 0.354E-03 12 F= -.13387961E+04 E0= -.13387520E+04 d E =-.520280E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.131932729229E+04 -0.67197E-01 -0.13655E+02 1408 0.155E+01 0.627E+00 DAV: 2 -0.132026229372E+04 -0.93500E+00 -0.12244E+01 1728 0.270E+00 0.580E+00 DAV: 3 -0.131992725677E+04 0.33504E+00 -0.91865E+00 1824 0.105E+00 0.564E+00 DAV: 4 -0.131999051445E+04 -0.63258E-01 -0.10659E+01 1664 0.808E-01 0.459E+00 DAV: 5 -0.131964910577E+04 0.34141E+00 -0.60661E-01 1664 0.577E-01 0.131E+00 DAV: 6 -0.131963665943E+04 0.12446E-01 -0.35990E-01 1728 0.442E-01 0.230E+00 DAV: 7 -0.131965307065E+04 -0.16411E-01 -0.69123E-01 1696 0.290E-01 0.123E+00 DAV: 8 -0.131963203959E+04 0.21031E-01 -0.10314E-02 1568 0.135E-01 0.107E+00 DAV: 9 -0.131962187307E+04 0.10167E-01 -0.70621E-02 1728 0.174E-01 0.121E+00 DAV: 10 -0.131961720069E+04 0.46724E-02 -0.12761E-02 1600 0.673E-02 0.383E-01 DAV: 11 -0.131961767213E+04 -0.47144E-03 -0.32541E-04 1312 0.132E-02 0.488E-01 DAV: 12 -0.131961792216E+04 -0.25004E-03 -0.79645E-05 1024 0.660E-03 0.549E-01 DAV: 13 -0.131961694388E+04 0.97828E-03 -0.15978E-03 1440 0.318E-02 0.213E-01 DAV: 14 -0.131961692705E+04 0.16830E-04 -0.14913E-03 1440 0.270E-02 0.149E-01 DAV: 15 -0.131961694886E+04 -0.21808E-04 -0.75518E-05 1056 0.115E-02 13 F= -.13390845E+04 E0= -.13390478E+04 d E =-.808665E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.131995424678E+04 -0.33732E+00 -0.10318E+02 1408 0.134E+01 0.494E+00 DAV: 2 -0.132045142254E+04 -0.49718E+00 -0.62589E+00 1696 0.230E+00 0.543E+00 DAV: 3 -0.132052775443E+04 -0.76332E-01 -0.94650E+00 1792 0.843E-01 0.599E+00 DAV: 4 -0.132035552470E+04 0.17223E+00 -0.75894E+00 1760 0.717E-01 0.393E+00 DAV: 5 -0.132021339121E+04 0.14213E+00 -0.12588E+00 1664 0.492E-01 0.147E+00 DAV: 6 -0.132017714474E+04 0.36246E-01 -0.10166E-01 1664 0.391E-01 0.633E-01 DAV: 7 -0.132017454608E+04 0.25987E-02 -0.10575E-01 1856 0.238E-01 0.116E+00 DAV: 8 -0.132017139437E+04 0.31517E-02 -0.48479E-02 1632 0.126E-01 0.510E-01 DAV: 9 -0.132016954173E+04 0.18526E-02 -0.62774E-03 1600 0.521E-02 0.254E-01 DAV: 10 -0.132016960130E+04 -0.59575E-04 -0.99328E-04 1568 0.419E-02 14 F= -.13395800E+04 E0= -.13395411E+04 d E =-.495461E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132018839829E+04 -0.18857E-01 -0.77103E+01 1408 0.116E+01 0.419E+00 DAV: 2 -0.132053900585E+04 -0.35061E+00 -0.42352E+00 1664 0.197E+00 0.475E+00 DAV: 3 -0.132076221017E+04 -0.22320E+00 -0.87219E+00 1664 0.600E-01 0.595E+00 DAV: 4 -0.132038794948E+04 0.37426E+00 -0.38586E+00 1600 0.588E-01 0.137E+00 DAV: 5 -0.132036703624E+04 0.20913E-01 -0.58811E-02 1600 0.331E-01 0.843E-01 DAV: 6 -0.132035609588E+04 0.10940E-01 -0.48415E-02 1728 0.284E-01 0.352E-01 DAV: 7 -0.132035527074E+04 0.82514E-03 -0.10016E-02 1760 0.137E-01 0.274E-01 DAV: 8 -0.132035522564E+04 0.45102E-04 -0.90058E-04 1632 0.406E-02 15 F= -.13397168E+04 E0= -.13396797E+04 d E =-.632252E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132059893919E+04 -0.24367E+00 -0.13995E+02 1408 0.155E+01 0.439E+00 DAV: 2 -0.132108943555E+04 -0.49050E+00 -0.57555E+00 1632 0.253E+00 0.496E+00 DAV: 3 -0.132136708595E+04 -0.27765E+00 -0.98531E+00 1664 0.667E-01 0.602E+00 DAV: 4 -0.132093088979E+04 0.43620E+00 -0.35697E+00 1600 0.625E-01 0.138E+00 DAV: 5 -0.132091038257E+04 0.20507E-01 -0.82102E-02 1696 0.372E-01 0.840E-01 DAV: 6 -0.132090227020E+04 0.81124E-02 -0.43701E-02 1632 0.283E-01 0.359E-01 DAV: 7 -0.132090144713E+04 0.82307E-03 -0.97568E-03 1696 0.126E-01 0.251E-01 DAV: 8 -0.132090133475E+04 0.11238E-03 -0.75474E-04 1760 0.347E-02 0.161E-01 DAV: 9 -0.132090133259E+04 0.21640E-05 -0.69497E-04 1504 0.338E-02 16 F= -.13402037E+04 E0= -.13401681E+04 d E =-.486965E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132087721160E+04 0.24123E-01 -0.84993E+01 1408 0.121E+01 0.339E+00 DAV: 2 -0.132120469204E+04 -0.32748E+00 -0.38036E+00 1632 0.198E+00 0.474E+00 DAV: 3 -0.132129739199E+04 -0.92700E-01 -0.68290E+00 1632 0.522E-01 0.528E+00 DAV: 4 -0.132107766246E+04 0.21973E+00 -0.31039E+00 1568 0.555E-01 0.104E+00 DAV: 5 -0.132106361298E+04 0.14049E-01 -0.60152E-02 1696 0.303E-01 0.639E-01 DAV: 6 -0.132105909883E+04 0.45141E-02 -0.27177E-02 1696 0.207E-01 0.290E-01 DAV: 7 -0.132105809272E+04 0.10061E-02 -0.52077E-03 1632 0.959E-02 0.143E-01 DAV: 8 -0.132105787857E+04 0.21415E-03 -0.68148E-04 1664 0.393E-02 0.861E-02 DAV: 9 -0.132105783810E+04 0.40472E-04 -0.25685E-04 1344 0.242E-02 17 F= -.13403151E+04 E0= -.13402803E+04 d E =-.598317E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132127845172E+04 -0.22057E+00 -0.15684E+02 1408 0.163E+01 0.493E+00 DAV: 2 -0.132204794247E+04 -0.76949E+00 -0.77885E+00 1632 0.262E+00 0.523E+00 DAV: 3 -0.132204267222E+04 0.52702E-02 -0.12432E+01 1600 0.835E-01 0.580E+00 DAV: 4 -0.132159556075E+04 0.44711E+00 -0.36298E+00 1536 0.565E-01 0.999E-01 DAV: 5 -0.132158983655E+04 0.57242E-02 -0.79628E-02 1664 0.354E-01 0.436E-01 DAV: 6 -0.132158898991E+04 0.84664E-03 -0.99389E-03 1728 0.148E-01 0.250E-01 DAV: 7 -0.132158853242E+04 0.45749E-03 -0.33170E-03 1664 0.742E-02 0.106E-01 DAV: 8 -0.132158838390E+04 0.14852E-03 -0.41264E-04 1472 0.393E-02 0.767E-02 DAV: 9 -0.132158831743E+04 0.66472E-04 -0.22753E-04 1248 0.256E-02 18 F= -.13407884E+04 E0= -.13407545E+04 d E =-.473252E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132152526683E+04 0.63117E-01 -0.12111E+02 1408 0.143E+01 0.445E+00 DAV: 2 -0.132221415963E+04 -0.68889E+00 -0.63690E+00 1632 0.231E+00 0.530E+00 DAV: 3 -0.132209201638E+04 0.12214E+00 -0.10456E+01 1568 0.759E-01 0.559E+00 DAV: 4 -0.132176943193E+04 0.32258E+00 -0.37606E+00 1568 0.519E-01 0.121E+00 DAV: 5 -0.132176193900E+04 0.74929E-02 -0.63546E-02 1600 0.329E-01 0.513E-01 DAV: 6 -0.132175888678E+04 0.30522E-02 -0.91870E-03 1664 0.150E-01 0.232E-01 DAV: 7 -0.132175843397E+04 0.45281E-03 -0.36107E-03 1696 0.814E-02 0.139E-01 DAV: 8 -0.132175824878E+04 0.18519E-03 -0.76614E-04 1696 0.438E-02 0.718E-02 DAV: 9 -0.132175820833E+04 0.40453E-04 -0.22229E-04 1216 0.284E-02 19 F= -.13409098E+04 E0= -.13408760E+04 d E =-.594717E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132182476702E+04 -0.66518E-01 -0.19397E+02 1408 0.181E+01 0.679E+00 DAV: 2 -0.132433049171E+04 -0.25057E+01 -0.36940E+01 1696 0.340E+00 0.695E+00 DAV: 3 -0.132228359591E+04 0.20469E+01 -0.12030E+00 1632 0.115E+00 0.399E+00 DAV: 4 -0.132362065215E+04 -0.13371E+01 -0.22311E+01 1664 0.119E+00 0.628E+00 DAV: 5 -0.132220196077E+04 0.14187E+01 -0.25563E+00 1568 0.886E-01 0.945E-01 DAV: 6 -0.132224787920E+04 -0.45918E-01 -0.52124E-01 1664 0.346E-01 0.287E+00 DAV: 7 -0.132225408788E+04 -0.62087E-02 -0.20285E+00 1568 0.319E-01 0.260E+00 DAV: 8 -0.132220420251E+04 0.49885E-01 -0.37611E-01 1568 0.157E-01 0.338E-01 DAV: 9 -0.132220912016E+04 -0.49176E-02 -0.22141E-03 1536 0.696E-02 0.491E-01 DAV: 10 -0.132221315302E+04 -0.40329E-02 -0.18464E-03 1536 0.528E-02 0.755E-01 DAV: 11 -0.132220725747E+04 0.58955E-02 -0.59688E-04 1472 0.453E-02 0.430E-01 DAV: 12 -0.132220497472E+04 0.22828E-02 -0.47731E-04 1504 0.332E-02 0.341E-01 DAV: 13 -0.132220398569E+04 0.98903E-03 -0.12103E-04 1184 0.182E-02 0.313E-01 DAV: 14 -0.132220319975E+04 0.78593E-03 -0.42690E-05 1184 0.116E-02 0.289E-01 DAV: 15 -0.132220106121E+04 0.21385E-02 -0.25522E-04 1344 0.327E-02 0.184E-01 DAV: 16 -0.132220035943E+04 0.70178E-03 -0.29147E-04 1504 0.256E-02 0.355E-02 DAV: 17 -0.132220035995E+04 -0.52156E-06 -0.77620E-05 1088 0.107E-02 20 F= -.13413054E+04 E0= -.13412734E+04 d E =-.395593E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132220520899E+04 -0.48496E-02 -0.66342E+00 1408 0.335E+00 0.108E+00 DAV: 2 -0.132223272948E+04 -0.27520E-01 -0.20218E-01 1632 0.571E-01 0.149E+00 DAV: 3 -0.132223034570E+04 0.23838E-02 -0.22484E-02 1536 0.176E-01 0.748E-01 DAV: 4 -0.132222113534E+04 0.92104E-02 -0.47115E-03 1632 0.104E-01 0.324E-01 DAV: 5 -0.132221875839E+04 0.23770E-02 -0.42095E-03 1632 0.864E-02 0.126E-01 DAV: 6 -0.132221870632E+04 0.52062E-04 -0.68620E-04 1600 0.356E-02 21 F= -.13413153E+04 E0= -.13412830E+04 d E =-.405516E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132235784552E+04 -0.13909E+00 -0.76268E+01 1408 0.115E+01 0.425E+00 DAV: 2 -0.132304540437E+04 -0.68756E+00 -0.59659E+00 1600 0.204E+00 0.576E+00 DAV: 3 -0.132269377027E+04 0.35163E+00 -0.81853E+00 1536 0.736E-01 0.483E+00 DAV: 4 -0.132254280560E+04 0.15096E+00 -0.41054E+00 1600 0.487E-01 0.240E+00 DAV: 5 -0.132251911321E+04 0.23692E-01 -0.58331E-01 1600 0.311E-01 0.525E-01 DAV: 6 -0.132251473847E+04 0.43747E-02 -0.10468E-02 1632 0.157E-01 0.352E-01 DAV: 7 -0.132251209449E+04 0.26440E-02 -0.45487E-03 1696 0.998E-02 0.218E-01 DAV: 8 -0.132251123090E+04 0.86359E-03 -0.13694E-03 1696 0.577E-02 0.142E-01 DAV: 9 -0.132251069769E+04 0.53320E-03 -0.29963E-04 1376 0.342E-02 0.411E-02 DAV: 10 -0.132251071155E+04 -0.13859E-04 -0.13911E-04 1152 0.214E-02 22 F= -.13416100E+04 E0= -.13415782E+04 d E =-.294696E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132250946332E+04 0.12344E-02 -0.17266E+01 1408 0.546E+00 0.196E+00 DAV: 2 -0.132255454929E+04 -0.45086E-01 -0.52735E-01 1664 0.930E-01 0.115E+00 DAV: 3 -0.132259297526E+04 -0.38426E-01 -0.22397E-01 1568 0.265E-01 0.253E+00 DAV: 4 -0.132254577205E+04 0.47203E-01 -0.50135E-01 1600 0.214E-01 0.433E-01 DAV: 5 -0.132254525051E+04 0.52155E-03 -0.10162E-02 1632 0.130E-01 0.282E-01 DAV: 6 -0.132254469151E+04 0.55900E-03 -0.16640E-03 1696 0.620E-02 0.122E-01 DAV: 7 -0.132254460021E+04 0.91297E-04 -0.57552E-04 1600 0.312E-02 23 F= -.13416452E+04 E0= -.13416136E+04 d E =-.329833E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132264974385E+04 -0.10505E+00 -0.69931E+01 1408 0.110E+01 0.378E+00 DAV: 2 -0.132290313900E+04 -0.25340E+00 -0.28205E+00 1664 0.186E+00 0.430E+00 DAV: 3 -0.132317941347E+04 -0.27627E+00 -0.83145E+00 1600 0.584E-01 0.560E+00 DAV: 4 -0.132280554662E+04 0.37387E+00 -0.24100E+00 1600 0.429E-01 0.930E-01 DAV: 5 -0.132280340000E+04 0.21466E-02 -0.54283E-02 1664 0.280E-01 0.467E-01 DAV: 6 -0.132280289359E+04 0.50642E-03 -0.68326E-03 1792 0.131E-01 0.321E-01 DAV: 7 -0.132280232593E+04 0.56766E-03 -0.15879E-03 1600 0.500E-02 0.180E-01 DAV: 8 -0.132280202360E+04 0.30232E-03 -0.25722E-04 1312 0.225E-02 0.857E-02 DAV: 9 -0.132280193931E+04 0.84296E-04 -0.14721E-04 1184 0.174E-02 24 F= -.13419143E+04 E0= -.13418841E+04 d E =-.269087E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132277958903E+04 0.22435E-01 -0.29799E+01 1408 0.717E+00 0.248E+00 DAV: 2 -0.132285325624E+04 -0.73667E-01 -0.89971E-01 1632 0.120E+00 0.105E+00 DAV: 3 -0.132284801952E+04 0.52367E-02 -0.35411E-02 1760 0.257E-01 0.572E-01 DAV: 4 -0.132284573130E+04 0.22882E-02 -0.15845E-02 1600 0.175E-01 0.320E-01 DAV: 5 -0.132284531628E+04 0.41502E-03 -0.31978E-03 1600 0.775E-02 0.129E-01 DAV: 6 -0.132284518355E+04 0.13273E-03 -0.13914E-03 1632 0.537E-02 0.683E-02 DAV: 7 -0.132284517802E+04 0.55368E-05 -0.21076E-04 1376 0.212E-02 25 F= -.13419650E+04 E0= -.13419358E+04 d E =-.319799E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132290481048E+04 -0.59627E-01 -0.75748E+01 1408 0.114E+01 0.362E+00 DAV: 2 -0.132309677318E+04 -0.19196E+00 -0.22132E+00 1664 0.187E+00 0.141E+00 DAV: 3 -0.132308265224E+04 0.14121E-01 -0.70390E-02 1728 0.366E-01 0.789E-01 DAV: 4 -0.132307982771E+04 0.28245E-02 -0.28625E-02 1600 0.235E-01 0.503E-01 DAV: 5 -0.132307745332E+04 0.23744E-02 -0.73513E-03 1600 0.117E-01 0.167E-01 DAV: 6 -0.132307735909E+04 0.94232E-04 -0.26699E-03 1664 0.697E-02 0.919E-02 DAV: 7 -0.132307739513E+04 -0.36037E-04 -0.30979E-04 1568 0.259E-02 26 F= -.13422140E+04 E0= -.13421854E+04 d E =-.249021E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132305456696E+04 0.22792E-01 -0.19918E+01 1408 0.584E+00 0.183E+00 DAV: 2 -0.132310474034E+04 -0.50173E-01 -0.58324E-01 1600 0.958E-01 0.698E-01 DAV: 3 -0.132310080384E+04 0.39365E-02 -0.18542E-02 1792 0.187E-01 0.379E-01 DAV: 4 -0.132309970124E+04 0.11026E-02 -0.87484E-03 1600 0.133E-01 0.148E-01 DAV: 5 -0.132309968161E+04 0.19628E-04 -0.14742E-03 1824 0.581E-02 0.723E-02 DAV: 6 -0.132309976207E+04 -0.80457E-04 -0.28739E-04 1472 0.214E-02 27 F= -.13422446E+04 E0= -.13422156E+04 d E =-.279654E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132314666880E+04 -0.46987E-01 -0.81001E+01 1408 0.117E+01 0.386E+00 DAV: 2 -0.132334820917E+04 -0.20154E+00 -0.22635E+00 1568 0.189E+00 0.164E+00 DAV: 3 -0.132333737272E+04 0.10836E-01 -0.67470E-02 1760 0.360E-01 0.872E-01 DAV: 4 -0.132333465799E+04 0.27147E-02 -0.36222E-02 1600 0.280E-01 0.304E-01 DAV: 5 -0.132333439090E+04 0.26709E-03 -0.60215E-03 1632 0.114E-01 0.198E-01 DAV: 6 -0.132333443828E+04 -0.47377E-04 -0.20907E-03 1664 0.545E-02 0.949E-02 DAV: 7 -0.132333443402E+04 0.42574E-05 -0.20885E-04 1344 0.240E-02 28 F= -.13424968E+04 E0= -.13424674E+04 d E =-.252161E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132327598475E+04 0.58454E-01 -0.49458E+01 1408 0.914E+00 0.298E+00 DAV: 2 -0.132339901602E+04 -0.12303E+00 -0.13835E+00 1568 0.148E+00 0.133E+00 DAV: 3 -0.132339218706E+04 0.68290E-02 -0.41775E-02 1792 0.283E-01 0.725E-01 DAV: 4 -0.132339115217E+04 0.10349E-02 -0.24293E-02 1600 0.227E-01 0.279E-01 DAV: 5 -0.132339019309E+04 0.95908E-03 -0.44089E-03 1600 0.926E-02 0.184E-01 DAV: 6 -0.132339010462E+04 0.88469E-04 -0.17973E-03 1632 0.504E-02 0.898E-02 DAV: 7 -0.132339013585E+04 -0.31234E-04 -0.25835E-04 1280 0.237E-02 29 F= -.13425654E+04 E0= -.13425362E+04 d E =-.320797E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132343792018E+04 -0.47816E-01 -0.81268E+01 1408 0.118E+01 0.371E+00 DAV: 2 -0.132364032276E+04 -0.20240E+00 -0.22918E+00 1600 0.193E+00 0.142E+00 DAV: 3 -0.132362972388E+04 0.10599E-01 -0.65410E-02 1792 0.357E-01 0.784E-01 DAV: 4 -0.132362838775E+04 0.13361E-02 -0.29998E-02 1600 0.268E-01 0.607E-01 DAV: 5 -0.132362715169E+04 0.12361E-02 -0.91796E-03 1600 0.121E-01 0.269E-01 DAV: 6 -0.132362613036E+04 0.10213E-02 -0.28528E-03 1600 0.797E-02 0.157E-01 DAV: 7 -0.132362579065E+04 0.33971E-03 -0.79890E-04 1632 0.414E-02 0.794E-02 DAV: 8 -0.132362574805E+04 0.42598E-04 -0.13284E-04 1248 0.206E-02 30 F= -.13428161E+04 E0= -.13427864E+04 d E =-.250728E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132357906364E+04 0.46727E-01 -0.36988E+01 1408 0.798E+00 0.252E+00 DAV: 2 -0.132367156291E+04 -0.92499E-01 -0.10452E+00 1600 0.130E+00 0.963E-01 DAV: 3 -0.132366794801E+04 0.36149E-02 -0.32834E-02 1728 0.249E-01 0.541E-01 DAV: 4 -0.132366644199E+04 0.15060E-02 -0.12165E-02 1600 0.163E-01 0.519E-01 DAV: 5 -0.132366581778E+04 0.62420E-03 -0.64882E-03 1568 0.102E-01 0.204E-01 DAV: 6 -0.132366483183E+04 0.98595E-03 -0.12695E-03 1664 0.568E-02 0.134E-01 DAV: 7 -0.132366445930E+04 0.37253E-03 -0.63674E-04 1568 0.363E-02 0.466E-02 DAV: 8 -0.132366449229E+04 -0.32989E-04 -0.10423E-04 1120 0.173E-02 31 F= -.13428644E+04 E0= -.13428342E+04 d E =-.298948E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132365792677E+04 0.65325E-02 -0.91134E+01 1408 0.125E+01 0.324E+00 DAV: 2 -0.132387332132E+04 -0.21539E+00 -0.24904E+00 1632 0.202E+00 0.140E+00 DAV: 3 -0.132386293697E+04 0.10384E-01 -0.70623E-02 1824 0.369E-01 0.850E-01 DAV: 4 -0.132385866423E+04 0.42727E-02 -0.39255E-02 1600 0.293E-01 0.345E-01 DAV: 5 -0.132385855703E+04 0.10719E-03 -0.66021E-03 1760 0.129E-01 0.184E-01 DAV: 6 -0.132385864705E+04 -0.90020E-04 -0.22745E-03 1600 0.637E-02 0.982E-02 DAV: 7 -0.132385866737E+04 -0.20314E-04 -0.27891E-04 1312 0.243E-02 32 F= -.13430789E+04 E0= -.13430498E+04 d E =-.214531E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132381363578E+04 0.45011E-01 -0.32024E+01 1408 0.742E+00 0.192E+00 DAV: 2 -0.132388925498E+04 -0.75619E-01 -0.87188E-01 1632 0.120E+00 0.820E-01 DAV: 3 -0.132388556884E+04 0.36861E-02 -0.24722E-02 1824 0.219E-01 0.477E-01 DAV: 4 -0.132388419179E+04 0.13770E-02 -0.13672E-02 1600 0.173E-01 0.188E-01 DAV: 5 -0.132388418796E+04 0.38311E-05 -0.22450E-03 1792 0.753E-02 0.101E-01 DAV: 6 -0.132388426592E+04 -0.77963E-04 -0.69611E-04 1568 0.352E-02 33 F= -.13431157E+04 E0= -.13430868E+04 d E =-.251305E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132392374020E+04 -0.39552E-01 -0.55722E+01 1408 0.980E+00 0.324E+00 DAV: 2 -0.132405694960E+04 -0.13321E+00 -0.15485E+00 1664 0.158E+00 0.120E+00 DAV: 3 -0.132404658988E+04 0.10360E-01 -0.48317E-02 1696 0.322E-01 0.691E-01 DAV: 4 -0.132404371385E+04 0.28760E-02 -0.25757E-02 1664 0.231E-01 0.293E-01 DAV: 5 -0.132404347434E+04 0.23951E-03 -0.40965E-03 1760 0.992E-02 0.150E-01 DAV: 6 -0.132404345838E+04 0.15960E-04 -0.12089E-03 1600 0.450E-02 0.808E-02 DAV: 7 -0.132404346097E+04 -0.25899E-05 -0.13967E-04 1216 0.230E-02 34 F= -.13432865E+04 E0= -.13432578E+04 d E =-.170849E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132401587902E+04 0.27579E-01 -0.25088E+01 1408 0.659E+00 0.217E+00 DAV: 2 -0.132407684223E+04 -0.60963E-01 -0.70412E-01 1728 0.106E+00 0.822E-01 DAV: 3 -0.132407062350E+04 0.62187E-02 -0.25360E-02 1600 0.231E-01 0.486E-01 DAV: 4 -0.132406974081E+04 0.88269E-03 -0.11145E-02 1600 0.140E-01 0.280E-01 DAV: 5 -0.132406880760E+04 0.93321E-03 -0.25085E-03 1568 0.725E-02 0.120E-01 DAV: 6 -0.132406875311E+04 0.54492E-04 -0.11378E-03 1568 0.467E-02 0.603E-02 DAV: 7 -0.132406877380E+04 -0.20695E-04 -0.16255E-04 1216 0.173E-02 35 F= -.13433190E+04 E0= -.13432899E+04 d E =-.203326E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132410816815E+04 -0.39415E-01 -0.47783E+01 1408 0.906E+00 0.319E+00 DAV: 2 -0.132444652634E+04 -0.33836E+00 -0.29897E+00 1696 0.151E+00 0.539E+00 DAV: 3 -0.132436731407E+04 0.79212E-01 -0.79394E+00 1600 0.549E-01 0.464E+00 DAV: 4 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6 -0.132422952498E+04 0.62824E-03 -0.14549E-03 1760 0.577E-02 0.175E-01 DAV: 7 -0.132422908458E+04 0.44040E-03 -0.38109E-04 1504 0.240E-02 0.132E-01 DAV: 8 -0.132422876550E+04 0.31908E-03 -0.84357E-05 1248 0.151E-02 0.104E-01 DAV: 9 -0.132422847298E+04 0.29252E-03 -0.81633E-05 1184 0.162E-02 0.643E-02 DAV: 10 -0.132422838567E+04 0.87311E-04 -0.64290E-05 1120 0.126E-02 37 F= -.13434904E+04 E0= -.13434608E+04 d E =-.171445E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132428904401E+04 -0.60571E-01 -0.28038E+01 1408 0.691E+00 0.236E+00 DAV: 2 -0.132444882185E+04 -0.15978E+00 -0.15240E+00 1696 0.119E+00 0.410E+00 DAV: 3 -0.132441764925E+04 0.31173E-01 -0.37852E+00 1568 0.392E-01 0.338E+00 DAV: 4 -0.132434878445E+04 0.68865E-01 -0.11037E+00 1600 0.250E-01 0.530E-01 DAV: 5 -0.132434773890E+04 0.10455E-02 -0.12020E-02 1600 0.138E-01 0.297E-01 DAV: 6 -0.132434727762E+04 0.46128E-03 -0.22799E-03 1760 0.759E-02 0.179E-01 DAV: 7 -0.132434693055E+04 0.34707E-03 -0.41310E-04 1664 0.269E-02 0.138E-01 DAV: 8 -0.132434658393E+04 0.34662E-03 -0.92198E-05 1216 0.154E-02 0.999E-02 DAV: 9 -0.132434633388E+04 0.25005E-03 -0.62763E-05 1152 0.147E-02 0.507E-02 DAV: 10 -0.132434627318E+04 0.60704E-04 -0.34152E-05 1056 0.116E-02 38 F= -.13436098E+04 E0= -.13435796E+04 d E =-.119360E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132434574510E+04 0.58878E-03 -0.10537E+01 1408 0.424E+00 0.141E+00 DAV: 2 -0.132437993152E+04 -0.34186E-01 -0.32414E-01 1632 0.725E-01 0.103E+00 DAV: 3 -0.132438308465E+04 -0.31531E-02 -0.31548E-02 1536 0.215E-01 0.150E+00 DAV: 4 -0.132437088898E+04 0.12196E-01 -0.12483E-02 1536 0.149E-01 0.408E-01 DAV: 5 -0.132436904983E+04 0.18391E-02 -0.47660E-03 1568 0.872E-02 0.230E-01 DAV: 6 -0.132436810793E+04 0.94191E-03 -0.10432E-03 1632 0.487E-02 0.141E-01 DAV: 7 -0.132436769098E+04 0.41695E-03 -0.30834E-04 1440 0.235E-02 0.769E-02 DAV: 8 -0.132436755843E+04 0.13256E-03 -0.54008E-05 1120 0.140E-02 0.294E-02 DAV: 9 -0.132436755261E+04 0.58187E-05 -0.23152E-05 1024 0.104E-02 39 F= -.13436316E+04 E0= -.13436008E+04 d E =-.141164E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132441658007E+04 -0.49022E-01 -0.30203E+01 1408 0.717E+00 0.226E+00 DAV: 2 -0.132455760386E+04 -0.14102E+00 -0.12957E+00 1600 0.118E+00 0.362E+00 DAV: 3 -0.132455186601E+04 0.57379E-02 -0.30710E+00 1600 0.369E-01 0.349E+00 DAV: 4 -0.132447869440E+04 0.73172E-01 -0.11527E+00 1504 0.239E-01 0.584E-01 DAV: 5 -0.132447693821E+04 0.17562E-02 -0.16657E-02 1568 0.165E-01 0.310E-01 DAV: 6 -0.132447629175E+04 0.64645E-03 -0.26550E-03 1824 0.773E-02 0.208E-01 DAV: 7 -0.132447580608E+04 0.48567E-03 -0.48677E-04 1600 0.287E-02 0.146E-01 DAV: 8 -0.132447545207E+04 0.35401E-03 -0.91146E-05 1152 0.163E-02 0.935E-02 DAV: 9 -0.132447527108E+04 0.18099E-03 -0.69409E-05 1184 0.148E-02 0.203E-02 DAV: 10 -0.132447528214E+04 -0.11060E-04 -0.30457E-05 1056 0.809E-03 40 F= -.13437356E+04 E0= -.13437046E+04 d E =-.103988E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132447190651E+04 0.33646E-02 -0.14637E+01 1408 0.500E+00 0.152E+00 DAV: 2 -0.132452238320E+04 -0.50477E-01 -0.39968E-01 1568 0.816E-01 0.149E+00 DAV: 3 -0.132453146101E+04 -0.90778E-02 -0.26811E-01 1600 0.252E-01 0.223E+00 DAV: 4 -0.132450448718E+04 0.26974E-01 -0.45637E-01 1568 0.170E-01 0.485E-01 DAV: 5 -0.132450217875E+04 0.23084E-02 -0.91060E-03 1568 0.124E-01 0.266E-01 DAV: 6 -0.132450123765E+04 0.94110E-03 -0.15214E-03 1664 0.563E-02 0.188E-01 DAV: 7 -0.132450067142E+04 0.56623E-03 -0.48141E-04 1536 0.275E-02 0.108E-01 DAV: 8 -0.132450047623E+04 0.19519E-03 -0.87942E-05 1120 0.161E-02 0.525E-02 DAV: 9 -0.132450044153E+04 0.34704E-04 -0.44680E-05 1056 0.125E-02 41 F= -.13437578E+04 E0= -.13437264E+04 d E =-.126236E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132455329978E+04 -0.52824E-01 -0.24121E+01 1408 0.634E+00 0.185E+00 DAV: 2 -0.132464283184E+04 -0.89532E-01 -0.64173E-01 1568 0.100E+00 0.226E+00 DAV: 3 -0.132467060658E+04 -0.27775E-01 -0.86218E-01 1600 0.307E-01 0.336E+00 DAV: 4 -0.132460483168E+04 0.65775E-01 -0.11254E+00 1504 0.202E-01 0.495E-01 DAV: 5 -0.132460176072E+04 0.30710E-02 -0.11144E-02 1600 0.144E-01 0.304E-01 DAV: 6 -0.132460064491E+04 0.11158E-02 -0.18495E-03 1760 0.660E-02 0.185E-01 DAV: 7 -0.132460018534E+04 0.45958E-03 -0.49561E-04 1504 0.318E-02 0.857E-02 DAV: 8 -0.132460008884E+04 0.96496E-04 -0.61659E-05 1088 0.172E-02 42 F= -.13438551E+04 E0= -.13438232E+04 d E =-.972978E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132456954688E+04 0.30638E-01 -0.41723E+01 1408 0.833E+00 0.249E+00 DAV: 2 -0.132483166438E+04 -0.26212E+00 -0.22126E+00 1600 0.134E+00 0.499E+00 DAV: 3 -0.132473312236E+04 0.98542E-01 -0.53600E+00 1568 0.424E-01 0.355E+00 DAV: 4 -0.132465499466E+04 0.78128E-01 -0.10961E+00 1568 0.244E-01 0.623E-01 DAV: 5 -0.132465085412E+04 0.41405E-02 -0.15581E-02 1600 0.170E-01 0.339E-01 DAV: 6 -0.132464965662E+04 0.11975E-02 -0.29778E-03 1696 0.899E-02 0.116E-01 DAV: 7 -0.132464959524E+04 0.61375E-04 -0.58773E-04 1632 0.348E-02 43 F= -.13439009E+04 E0= -.13438678E+04 d E =-.143017E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132469385091E+04 -0.44194E-01 -0.28881E+01 1408 0.692E+00 0.209E+00 DAV: 2 -0.132484789111E+04 -0.15404E+00 -0.12482E+00 1600 0.112E+00 0.373E+00 DAV: 3 -0.132482333646E+04 0.24555E-01 -0.31099E+00 1568 0.358E-01 0.338E+00 DAV: 4 -0.132475578185E+04 0.67555E-01 -0.95559E-01 1600 0.205E-01 0.621E-01 DAV: 5 -0.132475181843E+04 0.39634E-02 -0.10945E-02 1600 0.146E-01 0.298E-01 DAV: 6 -0.132475163534E+04 0.18308E-03 -0.27605E-03 1792 0.814E-02 0.136E-01 DAV: 7 -0.132475159162E+04 0.43724E-04 -0.49117E-04 1600 0.301E-02 44 F= -.13439981E+04 E0= -.13439643E+04 d E =-.972675E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132466133245E+04 0.90303E-01 -0.71175E+01 1408 0.109E+01 0.331E+00 DAV: 2 -0.132521285847E+04 -0.55153E+00 -0.43661E+00 1600 0.176E+00 0.597E+00 DAV: 3 -0.132494028395E+04 0.27257E+00 -0.80095E+00 1632 0.567E-01 0.424E+00 DAV: 4 -0.132481405686E+04 0.12623E+00 -0.16838E+00 1664 0.312E-01 0.943E-01 DAV: 5 -0.132480365121E+04 0.10406E-01 -0.26033E-02 1600 0.227E-01 0.450E-01 DAV: 6 -0.132480371433E+04 -0.63117E-04 -0.68273E-03 1792 0.128E-01 0.334E-01 DAV: 7 -0.132480303702E+04 0.67731E-03 -0.13583E-03 1600 0.477E-02 0.782E-02 DAV: 8 -0.132480303278E+04 0.42406E-05 -0.16634E-04 1344 0.189E-02 45 F= -.13440410E+04 E0= -.13440065E+04 d E =-.140192E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132482446004E+04 -0.21423E-01 -0.32029E+01 1408 0.725E+00 0.200E+00 DAV: 2 -0.132499839764E+04 -0.17394E+00 -0.13781E+00 1568 0.116E+00 0.395E+00 DAV: 3 -0.132495162324E+04 0.46774E-01 -0.30806E+00 1632 0.357E-01 0.313E+00 DAV: 4 -0.132489378590E+04 0.57837E-01 -0.80203E-01 1568 0.194E-01 0.724E-01 DAV: 5 -0.132488892783E+04 0.48581E-02 -0.14351E-02 1568 0.167E-01 0.260E-01 DAV: 6 -0.132488920220E+04 -0.27437E-03 -0.32193E-03 1696 0.843E-02 0.202E-01 DAV: 7 -0.132488894873E+04 0.25347E-03 -0.69446E-04 1632 0.362E-02 0.557E-02 DAV: 8 -0.132488896567E+04 -0.16939E-04 -0.84289E-05 1120 0.153E-02 46 F= -.13441204E+04 E0= -.13440855E+04 d E =-.793491E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132484227783E+04 0.46671E-01 -0.45677E+01 1408 0.866E+00 0.240E+00 DAV: 2 -0.132515744282E+04 -0.31516E+00 -0.25125E+00 1664 0.140E+00 0.540E+00 DAV: 3 -0.132500610300E+04 0.15134E+00 -0.54233E+00 1600 0.420E-01 0.331E+00 DAV: 4 -0.132493932656E+04 0.66776E-01 -0.86850E-01 1600 0.222E-01 0.829E-01 DAV: 5 -0.132493329468E+04 0.60319E-02 -0.18286E-02 1600 0.187E-01 0.312E-01 DAV: 6 -0.132493357495E+04 -0.28027E-03 -0.41910E-03 1728 0.968E-02 0.231E-01 DAV: 7 -0.132493327596E+04 0.29899E-03 -0.76719E-04 1568 0.388E-02 0.595E-02 DAV: 8 -0.132493332643E+04 -0.50469E-04 -0.10356E-04 1120 0.164E-02 47 F= -.13441561E+04 E0= -.13441208E+04 d E =-.115069E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132500764187E+04 -0.74366E-01 -0.15549E+01 1408 0.510E+00 0.174E+00 DAV: 2 -0.132508195859E+04 -0.74317E-01 -0.44950E-01 1632 0.859E-01 0.205E+00 DAV: 3 -0.132509861122E+04 -0.16653E-01 -0.80319E-01 1632 0.279E-01 0.309E+00 DAV: 4 -0.132504762366E+04 0.50988E-01 -0.10529E+00 1600 0.196E-01 0.831E-01 DAV: 5 -0.132503871817E+04 0.89055E-02 -0.10690E-02 1568 0.141E-01 0.286E-01 DAV: 6 -0.132503810452E+04 0.61365E-03 -0.19373E-03 1664 0.695E-02 0.798E-02 DAV: 7 -0.132503814175E+04 -0.37227E-04 -0.63807E-04 1632 0.320E-02 48 F= -.13442537E+04 E0= -.13442183E+04 d E =-.976246E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132503902540E+04 -0.92088E-03 -0.32295E+01 1408 0.736E+00 0.258E+00 DAV: 2 -0.132526235995E+04 -0.22333E+00 -0.17570E+00 1600 0.124E+00 0.484E+00 DAV: 3 -0.132519856687E+04 0.63793E-01 -0.49178E+00 1568 0.419E-01 0.368E+00 DAV: 4 -0.132510749237E+04 0.91075E-01 -0.10619E+00 1600 0.261E-01 0.898E-01 DAV: 5 -0.132510155057E+04 0.59418E-02 -0.18397E-02 1600 0.180E-01 0.258E-01 DAV: 6 -0.132510130023E+04 0.25034E-03 -0.29270E-03 1760 0.899E-02 0.113E-01 DAV: 7 -0.132510131188E+04 -0.11653E-04 -0.68021E-04 1600 0.350E-02 49 F= -.13443060E+04 E0= -.13442699E+04 d E =-.149875E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132516527398E+04 -0.63974E-01 -0.12379E+01 1408 0.462E+00 0.163E+00 DAV: 2 -0.132525099320E+04 -0.85719E-01 -0.34899E-01 1600 0.767E-01 0.259E+00 DAV: 3 -0.132523444659E+04 0.16547E-01 -0.74847E-01 1600 0.274E-01 0.271E+00 DAV: 4 -0.132519538040E+04 0.39066E-01 -0.73065E-01 1632 0.167E-01 0.761E-01 DAV: 5 -0.132518893396E+04 0.64464E-02 -0.77203E-03 1568 0.117E-01 0.136E-01 DAV: 6 -0.132518899381E+04 -0.59851E-04 -0.11853E-03 1664 0.511E-02 0.106E-01 DAV: 7 -0.132518899123E+04 0.25762E-05 -0.42170E-04 1504 0.262E-02 50 F= -.13443851E+04 E0= -.13443489E+04 d E =-.790645E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132520381538E+04 -0.14822E-01 -0.36255E+01 1408 0.791E+00 0.278E+00 DAV: 2 -0.132553012144E+04 -0.32631E+00 -0.24517E+00 1600 0.131E+00 0.570E+00 DAV: 3 -0.132537985009E+04 0.15027E+00 -0.66864E+00 1600 0.466E-01 0.374E+00 DAV: 4 -0.132527850158E+04 0.10135E+00 -0.10261E+00 1632 0.263E-01 0.857E-01 DAV: 5 -0.132527289911E+04 0.56025E-02 -0.18367E-02 1568 0.176E-01 0.235E-01 DAV: 6 -0.132527289665E+04 0.24585E-05 -0.26553E-03 1696 0.796E-02 0.125E-01 DAV: 7 -0.132527290336E+04 -0.67072E-05 -0.69913E-04 1536 0.350E-02 51 F= -.13444537E+04 E0= -.13444174E+04 d E =-.147745E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132527505616E+04 -0.21595E-02 -0.39326E+00 1408 0.260E+00 0.912E-01 DAV: 2 -0.132530329924E+04 -0.28243E-01 -0.11125E-01 1632 0.431E-01 0.112E+00 DAV: 3 -0.132529669788E+04 0.66014E-02 -0.21095E-01 1600 0.147E-01 0.153E+00 DAV: 4 -0.132528693876E+04 0.97591E-02 -0.23407E-01 1600 0.994E-02 0.641E-01 DAV: 5 -0.132528365855E+04 0.32802E-02 -0.30815E-03 1568 0.776E-02 0.382E-01 DAV: 6 -0.132528272835E+04 0.93020E-03 -0.51552E-04 1600 0.349E-02 0.426E-02 DAV: 7 -0.132528275883E+04 -0.30483E-04 -0.19740E-04 1280 0.181E-02 52 F= -.13444584E+04 E0= -.13444220E+04 d E =-.152452E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132533942033E+04 -0.56692E-01 -0.14559E+01 1408 0.500E+00 0.162E+00 DAV: 2 -0.132544041551E+04 -0.10100E+00 -0.46202E-01 1568 0.806E-01 0.288E+00 DAV: 3 -0.132541037829E+04 0.30037E-01 -0.98534E-01 1600 0.278E-01 0.264E+00 DAV: 4 -0.132537206263E+04 0.38316E-01 -0.60211E-01 1600 0.155E-01 0.718E-01 DAV: 5 -0.132536821055E+04 0.38521E-02 -0.73459E-03 1568 0.125E-01 0.396E-01 DAV: 6 -0.132536757283E+04 0.63772E-03 -0.15767E-03 1696 0.565E-02 0.162E-01 DAV: 7 -0.132536743052E+04 0.14231E-03 -0.38876E-04 1472 0.273E-02 0.465E-02 DAV: 8 -0.132536744165E+04 -0.11122E-04 -0.45682E-05 1088 0.124E-02 53 F= -.13445377E+04 E0= -.13445010E+04 d E =-.792402E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132534057294E+04 0.26858E-01 -0.48555E+01 1408 0.913E+00 0.292E+00 DAV: 2 -0.132577146979E+04 -0.43090E+00 -0.34259E+00 1632 0.148E+00 0.606E+00 DAV: 3 -0.132554938084E+04 0.22209E+00 -0.74079E+00 1600 0.508E-01 0.381E+00 DAV: 4 -0.132543972423E+04 0.10966E+00 -0.92048E-01 1632 0.261E-01 0.919E-01 DAV: 5 -0.132543574727E+04 0.39770E-02 -0.22718E-02 1632 0.213E-01 0.637E-01 DAV: 6 -0.132543390220E+04 0.18451E-02 -0.46118E-03 1728 0.990E-02 0.144E-01 DAV: 7 -0.132543387393E+04 0.28276E-04 -0.99258E-04 1632 0.435E-02 54 F= -.13445934E+04 E0= -.13445562E+04 d E =-.134951E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132549056462E+04 -0.56662E-01 -0.14900E+01 1408 0.502E+00 0.151E+00 DAV: 2 -0.132561960821E+04 -0.12904E+00 -0.69933E-01 1568 0.817E-01 0.357E+00 DAV: 3 -0.132554325398E+04 0.76354E-01 -0.14725E+00 1568 0.274E-01 0.200E+00 DAV: 4 -0.132552224704E+04 0.21007E-01 -0.30824E-01 1600 0.131E-01 0.633E-01 DAV: 5 -0.132552181408E+04 0.43297E-03 -0.64072E-03 1600 0.120E-01 0.620E-01 DAV: 6 -0.132551969380E+04 0.21203E-02 -0.17684E-03 1696 0.592E-02 0.739E-02 DAV: 7 -0.132551968290E+04 0.10899E-04 -0.33713E-04 1568 0.248E-02 55 F= -.13446746E+04 E0= -.13446374E+04 d E =-.811624E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132544987726E+04 0.69817E-01 -0.78278E+01 1408 0.115E+01 0.346E+00 DAV: 2 -0.132625291630E+04 -0.80304E+00 -0.74020E+00 1632 0.188E+00 0.659E+00 DAV: 3 -0.132570525966E+04 0.54766E+00 -0.74789E+00 1600 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1696 0.661E-02 0.807E-02 DAV: 7 -0.132570675493E+04 -0.23931E-04 -0.40637E-04 1536 0.277E-02 57 F= -.13448388E+04 E0= -.13448011E+04 d E =-.937940E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132561447942E+04 0.92252E-01 -0.79645E+01 1408 0.116E+01 0.324E+00 DAV: 2 -0.132648668823E+04 -0.87221E+00 -0.82545E+00 1600 0.188E+00 0.667E+00 DAV: 3 -0.132583257557E+04 0.65411E+00 -0.63873E+00 1568 0.604E-01 0.303E+00 DAV: 4 -0.132578854999E+04 0.44026E-01 -0.12485E+00 1600 0.302E-01 0.148E+00 DAV: 5 -0.132577458675E+04 0.13963E-01 -0.29112E-01 1600 0.258E-01 0.140E+00 DAV: 6 -0.132576475471E+04 0.98320E-02 -0.16286E-01 1600 0.128E-01 0.403E-01 DAV: 7 -0.132576407484E+04 0.67987E-03 -0.18836E-03 1632 0.636E-02 0.276E-01 DAV: 8 -0.132576373336E+04 0.34148E-03 -0.33666E-04 1472 0.274E-02 0.770E-02 DAV: 9 -0.132576383966E+04 -0.10630E-03 -0.15824E-04 1152 0.206E-02 0.524E-02 DAV: 10 -0.132576392062E+04 -0.80959E-04 -0.54675E-05 1088 0.120E-02 58 F= -.13448763E+04 E0= -.13448384E+04 d E =-.131237E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132580960226E+04 -0.45763E-01 -0.16779E+01 1408 0.532E+00 0.146E+00 DAV: 2 -0.132598549366E+04 -0.17589E+00 -0.11487E+00 1568 0.854E-01 0.451E+00 DAV: 3 -0.132585626543E+04 0.12923E+00 -0.21199E+00 1568 0.273E-01 0.155E+00 DAV: 4 -0.132584308146E+04 0.13184E-01 -0.18917E-01 1632 0.136E-01 0.584E-01 DAV: 5 -0.132584217759E+04 0.90387E-03 -0.71193E-03 1568 0.117E-01 0.410E-01 DAV: 6 -0.132584131206E+04 0.86553E-03 -0.12061E-03 1632 0.511E-02 0.686E-02 DAV: 7 -0.132584135432E+04 -0.42262E-04 -0.28938E-04 1344 0.226E-02 59 F= -.13449434E+04 E0= -.13449053E+04 d E =-.670992E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132571136838E+04 0.12994E+00 -0.12795E+02 1408 0.147E+01 0.412E+00 DAV: 2 -0.132694189766E+04 -0.12305E+01 -0.12696E+01 1632 0.237E+00 0.702E+00 DAV: 3 -0.132606103053E+04 0.88087E+00 -0.76505E+00 1568 0.762E-01 0.356E+00 DAV: 4 -0.132599851242E+04 0.62518E-01 -0.19314E+00 1536 0.383E-01 0.213E+00 DAV: 5 -0.132602571420E+04 -0.27202E-01 -0.11111E+00 1536 0.385E-01 0.307E+00 DAV: 6 -0.132595712951E+04 0.68585E-01 -0.56310E-01 1504 0.201E-01 0.649E-01 DAV: 7 -0.132595442430E+04 0.27052E-02 -0.47822E-03 1600 0.966E-02 0.249E-01 DAV: 8 -0.132595420581E+04 0.21849E-03 -0.80112E-04 1632 0.397E-02 0.138E-01 DAV: 9 -0.132595411899E+04 0.86813E-04 -0.29583E-04 1344 0.270E-02 60 F= -.13450267E+04 E0= -.13449886E+04 d E =-.150456E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132601575684E+04 -0.61551E-01 -0.28462E+00 1408 0.225E+00 0.101E+00 DAV: 2 -0.132603161754E+04 -0.15861E-01 -0.90054E-02 1632 0.385E-01 0.109E+00 DAV: 3 -0.132607101487E+04 -0.39397E-01 -0.61525E-01 1568 0.151E-01 0.268E+00 DAV: 4 -0.132602173134E+04 0.49284E-01 -0.24588E-01 1504 0.114E-01 0.261E-01 DAV: 5 -0.132602161858E+04 0.11277E-03 -0.23810E-03 1664 0.611E-02 0.167E-01 DAV: 6 -0.132602147305E+04 0.14552E-03 -0.29097E-04 1504 0.243E-02 0.473E-02 DAV: 7 -0.132602148683E+04 -0.13777E-04 -0.79754E-05 1088 0.125E-02 61 F= -.13450915E+04 E0= -.13450533E+04 d E =-.648202E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132605130160E+04 -0.29829E-01 -0.80976E+00 1408 0.379E+00 0.173E+00 DAV: 2 -0.132610111278E+04 -0.49811E-01 -0.25754E-01 1632 0.653E-01 0.176E+00 DAV: 3 -0.132618329272E+04 -0.82180E-01 -0.13555E+00 1568 0.268E-01 0.349E+00 DAV: 4 -0.132606833760E+04 0.11496E+00 -0.46908E-01 1504 0.188E-01 0.510E-01 DAV: 5 -0.132606815601E+04 0.18159E-03 -0.23066E-02 1664 0.105E-01 0.467E-01 DAV: 6 -0.132606686321E+04 0.12928E-02 -0.10357E-02 1664 0.448E-02 0.100E-01 DAV: 7 -0.132606687443E+04 -0.11217E-04 -0.23901E-04 1344 0.205E-02 62 F= -.13451326E+04 E0= -.13450942E+04 d E =-.105897E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132611895191E+04 -0.52089E-01 -0.29935E+00 1408 0.229E+00 0.988E-01 DAV: 2 -0.132613040928E+04 -0.11457E-01 -0.88661E-02 1664 0.378E-01 0.830E-01 DAV: 3 -0.132619072537E+04 -0.60316E-01 -0.59622E-01 1600 0.156E-01 0.295E+00 DAV: 4 -0.132612527084E+04 0.65455E-01 -0.18633E-01 1536 0.117E-01 0.184E-01 DAV: 5 -0.132612534155E+04 -0.70709E-04 -0.27700E-03 1600 0.622E-02 0.871E-02 DAV: 6 -0.132612533979E+04 0.17574E-05 -0.29037E-04 1472 0.248E-02 63 F= -.13451889E+04 E0= -.13451506E+04 d E =-.562773E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132615166432E+04 -0.26323E-01 -0.25248E+01 1408 0.665E+00 0.283E+00 DAV: 2 -0.132628853191E+04 -0.13687E+00 -0.87153E-01 1600 0.111E+00 0.310E+00 DAV: 3 -0.132646199716E+04 -0.17347E+00 -0.30103E+00 1536 0.460E-01 0.390E+00 DAV: 4 -0.132620923213E+04 0.25277E+00 -0.50071E-02 1504 0.262E-01 0.109E+00 DAV: 5 -0.132622616754E+04 -0.16935E-01 -0.33834E-01 1632 0.208E-01 0.143E+00 DAV: 6 -0.132620301588E+04 0.23152E-01 -0.76955E-03 1536 0.118E-01 0.233E-01 DAV: 7 -0.132620359428E+04 -0.57840E-03 -0.92609E-04 1536 0.374E-02 0.339E-01 DAV: 8 -0.132620417606E+04 -0.58178E-03 -0.17855E-02 1280 0.306E-02 0.453E-01 DAV: 9 -0.132620304275E+04 0.11333E-02 -0.11378E-02 1152 0.244E-02 0.831E-02 DAV: 10 -0.132620306200E+04 -0.19250E-04 -0.77824E-05 1088 0.122E-02 64 F= -.13452602E+04 E0= -.13452219E+04 d E =-.127565E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132626282896E+04 -0.59786E-01 -0.42242E+00 1408 0.269E+00 0.788E-01 DAV: 2 -0.132627299368E+04 -0.10165E-01 -0.11605E-01 1664 0.431E-01 0.433E-01 DAV: 3 -0.132630425004E+04 -0.31256E-01 -0.22282E-01 1632 0.122E-01 0.225E+00 DAV: 4 -0.132627155926E+04 0.32691E-01 -0.12806E-01 1536 0.825E-02 0.176E-01 DAV: 5 -0.132627137788E+04 0.18138E-03 -0.20521E-03 1600 0.614E-02 0.714E-02 DAV: 6 -0.132627141217E+04 -0.34289E-04 -0.39267E-04 1632 0.272E-02 65 F= -.13453258E+04 E0= -.13452875E+04 d E =-.656684E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132629608620E+04 -0.24708E-01 -0.23883E+01 1408 0.639E+00 0.188E+00 DAV: 2 -0.132635580834E+04 -0.59722E-01 -0.66468E-01 1664 0.103E+00 0.112E+00 DAV: 3 -0.132651237857E+04 -0.15657E+00 -0.11387E+00 1664 0.299E-01 0.367E+00 DAV: 4 -0.132634519683E+04 0.16718E+00 -0.10788E-01 1536 0.200E-01 0.434E-01 DAV: 5 -0.132634438751E+04 0.80932E-03 -0.13468E-02 1664 0.146E-01 0.350E-01 DAV: 6 -0.132634380308E+04 0.58443E-03 -0.20481E-03 1632 0.670E-02 0.104E-01 DAV: 7 -0.132634384324E+04 -0.40159E-04 -0.60255E-04 1568 0.348E-02 66 F= -.13453917E+04 E0= -.13453535E+04 d E =-.131494E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132638909232E+04 -0.45289E-01 -0.41084E+00 1408 0.263E+00 0.881E-01 DAV: 2 -0.132640095224E+04 -0.11860E-01 -0.13104E-01 1632 0.431E-01 0.689E-01 DAV: 3 -0.132643690459E+04 -0.35952E-01 -0.21359E-01 1600 0.135E-01 0.178E+00 DAV: 4 -0.132639844879E+04 0.38456E-01 -0.68355E-03 1568 0.102E-01 0.307E-01 DAV: 5 -0.132640042648E+04 -0.19777E-02 -0.37274E-02 1728 0.788E-02 0.634E-01 DAV: 6 -0.132639835932E+04 0.20672E-02 -0.34732E-02 1568 0.419E-02 0.219E-01 DAV: 7 -0.132639813560E+04 0.22372E-03 -0.13784E-04 1120 0.165E-02 0.898E-02 DAV: 8 -0.132639817433E+04 -0.38723E-04 -0.46707E-05 1088 0.859E-03 67 F= -.13454442E+04 E0= -.13454060E+04 d E =-.525055E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132639627005E+04 0.18656E-02 -0.34418E+01 1408 0.760E+00 0.251E+00 DAV: 2 -0.132654821269E+04 -0.15194E+00 -0.12911E+00 1600 0.125E+00 0.318E+00 DAV: 3 -0.132667264447E+04 -0.12443E+00 -0.47342E+00 1568 0.381E-01 0.527E+00 DAV: 4 -0.132647041558E+04 0.20223E+00 -0.17326E+00 1504 0.283E-01 0.584E-01 DAV: 5 -0.132647012502E+04 0.29056E-03 -0.33150E-02 1728 0.191E-01 0.425E-01 DAV: 6 -0.132646927192E+04 0.85310E-03 -0.10373E-02 1664 0.796E-02 0.124E-01 DAV: 7 -0.132646928416E+04 -0.12244E-04 -0.53891E-04 1568 0.293E-02 68 F= -.13455098E+04 E0= -.13454713E+04 d E =-.118134E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132651021529E+04 -0.40943E-01 -0.33691E+00 1472 0.234E+00 0.743E-01 DAV: 2 -0.132651833594E+04 -0.81206E-02 -0.90819E-02 1632 0.381E-01 0.337E-01 DAV: 3 -0.132653286681E+04 -0.14531E-01 -0.55581E-03 1664 0.887E-02 0.127E+00 DAV: 4 -0.132651773931E+04 0.15128E-01 -0.28169E-03 1536 0.609E-02 0.157E-01 DAV: 5 -0.132651766219E+04 0.77120E-04 -0.12441E-03 1568 0.478E-02 0.558E-02 DAV: 6 -0.132651769089E+04 -0.28700E-04 -0.18290E-04 1376 0.206E-02 69 F= -.13455564E+04 E0= -.13455179E+04 d E =-.465684E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132653870762E+04 -0.21045E-01 -0.30224E+01 1408 0.702E+00 0.221E+00 DAV: 2 -0.132660939210E+04 -0.70684E-01 -0.81153E-01 1632 0.114E+00 0.896E-01 DAV: 3 -0.132666147985E+04 -0.52088E-01 -0.31217E-01 1664 0.248E-01 0.280E+00 DAV: 4 -0.132660717372E+04 0.54306E-01 -0.40707E-01 1536 0.136E-01 0.719E-01 DAV: 5 -0.132660367977E+04 0.34940E-02 -0.89562E-03 1568 0.135E-01 0.145E-01 DAV: 6 -0.132660374095E+04 -0.61174E-04 -0.16506E-03 1728 0.602E-02 0.767E-02 DAV: 7 -0.132660377516E+04 -0.34213E-04 -0.53841E-04 1600 0.314E-02 70 F= -.13456368E+04 E0= -.13455983E+04 d E =-.126967E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132660226520E+04 0.14757E-02 -0.53986E+00 1408 0.297E+00 0.941E-01 DAV: 2 -0.132661483842E+04 -0.12573E-01 -0.14497E-01 1632 0.482E-01 0.361E-01 DAV: 3 -0.132661760629E+04 -0.27679E-02 -0.32949E-02 1728 0.953E-02 0.778E-01 DAV: 4 -0.132661529707E+04 0.23092E-02 -0.65772E-02 1536 0.447E-02 0.449E-01 DAV: 5 -0.132661402222E+04 0.12749E-02 -0.15143E-03 1568 0.572E-02 0.764E-02 DAV: 6 -0.132661405828E+04 -0.36059E-04 -0.29972E-04 1504 0.265E-02 71 F= -.13456446E+04 E0= -.13456061E+04 d E =-.134768E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132666042002E+04 -0.46398E-01 -0.75281E+00 1408 0.350E+00 0.110E+00 DAV: 2 -0.132667891646E+04 -0.18496E-01 -0.20100E-01 1632 0.565E-01 0.560E-01 DAV: 3 -0.132673489916E+04 -0.55983E-01 -0.32683E-01 1664 0.154E-01 0.279E+00 DAV: 4 -0.132667700898E+04 0.57890E-01 -0.15233E-01 1536 0.106E-01 0.240E-01 DAV: 5 -0.132667685895E+04 0.15003E-03 -0.33724E-03 1664 0.757E-02 0.720E-02 DAV: 6 -0.132667690348E+04 -0.44528E-04 -0.45126E-04 1696 0.293E-02 72 F= -.13457048E+04 E0= -.13456663E+04 d E =-.601997E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132665224363E+04 0.24615E-01 -0.40107E+01 1408 0.809E+00 0.258E+00 DAV: 2 -0.132674957006E+04 -0.97326E-01 -0.10739E+00 1632 0.131E+00 0.120E+00 DAV: 3 -0.132693077843E+04 -0.18121E+00 -0.10972E+00 1696 0.341E-01 0.370E+00 DAV: 4 -0.132674000949E+04 0.19077E+00 -0.21920E-01 1568 0.220E-01 0.517E-01 DAV: 5 -0.132673894098E+04 0.10685E-02 -0.15902E-02 1664 0.167E-01 0.250E-01 DAV: 6 -0.132673882904E+04 0.11194E-03 -0.22927E-03 1696 0.670E-02 0.120E-01 DAV: 7 -0.132673883085E+04 -0.18134E-05 -0.75409E-04 1632 0.342E-02 73 F= -.13457605E+04 E0= -.13457222E+04 d E =-.115919E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132678177928E+04 -0.42950E-01 -0.10468E+01 1408 0.408E+00 0.119E+00 DAV: 2 -0.132680597482E+04 -0.24196E-01 -0.27718E-01 1632 0.665E-01 0.514E-01 DAV: 3 -0.132681474734E+04 -0.87725E-02 -0.77575E-02 1728 0.135E-01 0.133E+00 DAV: 4 -0.132680582338E+04 0.89240E-02 -0.13858E-01 1536 0.663E-02 0.514E-01 DAV: 5 -0.132680438173E+04 0.14416E-02 -0.26911E-03 1600 0.753E-02 0.119E-01 DAV: 6 -0.132680442448E+04 -0.42748E-04 -0.57656E-04 1728 0.364E-02 74 F= -.13458239E+04 E0= -.13457855E+04 d E =-.634252E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132680697705E+04 -0.25953E-02 -0.19890E+01 1408 0.562E+00 0.166E+00 DAV: 2 -0.132686483717E+04 -0.57860E-01 -0.60946E-01 1664 0.916E-01 0.161E+00 DAV: 3 -0.132696868174E+04 -0.10384E+00 -0.15772E+00 1568 0.256E-01 0.389E+00 DAV: 4 -0.132684971865E+04 0.11896E+00 -0.60157E-01 1536 0.195E-01 0.470E-01 DAV: 5 -0.132685092858E+04 -0.12099E-02 -0.43459E-02 1728 0.135E-01 0.598E-01 DAV: 6 -0.132684893946E+04 0.19891E-02 -0.20182E-02 1632 0.620E-02 0.107E-01 DAV: 7 -0.132684898062E+04 -0.41156E-04 -0.47886E-04 1600 0.288E-02 75 F= -.13458655E+04 E0= -.13458270E+04 d E =-.104969E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132690308839E+04 -0.54149E-01 -0.91989E+00 1472 0.390E+00 0.123E+00 DAV: 2 -0.132692957631E+04 -0.26488E-01 -0.28812E-01 1664 0.619E-01 0.111E+00 DAV: 3 -0.132699290377E+04 -0.63327E-01 -0.65152E-01 1600 0.188E-01 0.266E+00 DAV: 4 -0.132692275283E+04 0.70151E-01 -0.12937E-02 1536 0.143E-01 0.427E-01 DAV: 5 -0.132692490372E+04 -0.21509E-02 -0.56816E-02 1760 0.110E-01 0.722E-01 DAV: 6 -0.132692198760E+04 0.29161E-02 -0.33160E-02 1536 0.496E-02 0.126E-01 DAV: 7 -0.132692202440E+04 -0.36806E-04 -0.31417E-04 1312 0.243E-02 76 F= -.13459367E+04 E0= -.13458981E+04 d E =-.712211E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132691430277E+04 0.76848E-02 -0.28618E+01 1408 0.688E+00 0.216E+00 DAV: 2 -0.132697888725E+04 -0.64584E-01 -0.75703E-01 1632 0.109E+00 0.895E-01 DAV: 3 -0.132704580342E+04 -0.66916E-01 -0.21215E-01 1600 0.253E-01 0.273E+00 DAV: 4 -0.132697380928E+04 0.71994E-01 -0.36758E-02 1536 0.161E-01 0.499E-01 DAV: 5 -0.132697235869E+04 0.14506E-02 -0.13475E-02 1600 0.149E-01 0.156E-01 DAV: 6 -0.132697241681E+04 -0.58123E-04 -0.18325E-03 1824 0.645E-02 0.107E-01 DAV: 7 -0.132697241777E+04 -0.96161E-06 -0.70810E-04 1536 0.373E-02 77 F= -.13459838E+04 E0= -.13459455E+04 d E =-.118370E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132700545398E+04 -0.33037E-01 -0.66477E+00 1472 0.332E+00 0.108E+00 DAV: 2 -0.132703019126E+04 -0.24737E-01 -0.17759E-01 1600 0.532E-01 0.112E+00 DAV: 3 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DAV: 9 -0.132707668804E+04 0.78140E-04 -0.13056E-04 1184 0.164E-02 79 F= -.13460849E+04 E0= -.13460464E+04 d E =-.101093E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132711779504E+04 -0.41029E-01 -0.95835E+00 1408 0.393E+00 0.117E+00 DAV: 2 -0.132715551947E+04 -0.37724E-01 -0.25925E-01 1632 0.642E-01 0.136E+00 DAV: 3 -0.132719704682E+04 -0.41527E-01 -0.78051E-01 1600 0.184E-01 0.279E+00 DAV: 4 -0.132713887998E+04 0.58167E-01 -0.24838E-01 1536 0.126E-01 0.377E-01 DAV: 5 -0.132713866305E+04 0.21694E-03 -0.14259E-02 1568 0.909E-02 0.317E-01 DAV: 6 -0.132713813094E+04 0.53210E-03 -0.48347E-03 1664 0.386E-02 0.491E-02 DAV: 7 -0.132713815448E+04 -0.23543E-04 -0.12445E-04 1216 0.168E-02 80 F= -.13461440E+04 E0= -.13461055E+04 d E =-.590860E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132714010339E+04 -0.19725E-02 -0.10501E+01 1408 0.411E+00 0.122E+00 DAV: 2 -0.132718775276E+04 -0.47649E-01 -0.29838E-01 1632 0.675E-01 0.154E+00 DAV: 3 -0.132721621894E+04 -0.28466E-01 -0.80964E-01 1536 0.194E-01 0.269E+00 DAV: 4 -0.132716403656E+04 0.52182E-01 -0.31498E-01 1536 0.130E-01 0.520E-01 DAV: 5 -0.132716402870E+04 0.78556E-05 -0.44666E-02 1568 0.987E-02 0.532E-01 DAV: 6 -0.132716240623E+04 0.16225E-02 -0.13028E-02 1600 0.435E-02 0.500E-02 DAV: 7 -0.132716244406E+04 -0.37830E-04 -0.16097E-04 1344 0.182E-02 81 F= -.13461658E+04 E0= -.13461273E+04 d E =-.808496E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132720883330E+04 -0.46427E-01 -0.13651E+01 1408 0.466E+00 0.134E+00 DAV: 2 -0.132729104351E+04 -0.82210E-01 -0.47491E-01 1600 0.759E-01 0.208E+00 DAV: 3 -0.132727797745E+04 0.13066E-01 -0.80396E-01 1536 0.228E-01 0.241E+00 DAV: 4 -0.132724152659E+04 0.36451E-01 -0.41910E-01 1504 0.134E-01 0.796E-01 DAV: 5 -0.132724309326E+04 -0.15667E-02 -0.14129E-01 1536 0.117E-01 0.999E-01 DAV: 6 -0.132723724895E+04 0.58443E-02 -0.19992E-02 1568 0.578E-02 0.903E-02 DAV: 7 -0.132723726597E+04 -0.17027E-04 -0.35871E-04 1536 0.251E-02 82 F= -.13462349E+04 E0= -.13461964E+04 d E =-.690880E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132720402236E+04 0.33227E-01 -0.44667E+01 1408 0.843E+00 0.243E+00 DAV: 2 -0.132747168514E+04 -0.26766E+00 -0.23397E+00 1568 0.137E+00 0.479E+00 DAV: 3 -0.132740734461E+04 0.64341E-01 -0.46503E+00 1568 0.414E-01 0.333E+00 DAV: 4 -0.132729843309E+04 0.10891E+00 -0.24022E-01 1504 0.215E-01 0.566E-01 DAV: 5 -0.132729656405E+04 0.18690E-02 -0.19484E-02 1600 0.177E-01 0.268E-01 DAV: 6 -0.132729650939E+04 0.54660E-04 -0.39422E-03 1664 0.788E-02 0.124E-01 DAV: 7 -0.132729651881E+04 -0.94220E-05 -0.49006E-04 1600 0.307E-02 83 F= -.13462837E+04 E0= -.13462451E+04 d E =-.117885E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132733151037E+04 -0.35001E-01 -0.12250E+01 1408 0.437E+00 0.142E+00 DAV: 2 -0.132740592285E+04 -0.74412E-01 -0.44047E-01 1600 0.722E-01 0.194E+00 DAV: 3 -0.132741308811E+04 -0.71653E-02 -0.92958E-01 1568 0.231E-01 0.269E+00 DAV: 4 -0.132736257108E+04 0.50517E-01 -0.45773E-01 1504 0.145E-01 0.785E-01 DAV: 5 -0.132736375296E+04 -0.11819E-02 -0.13007E-01 1536 0.111E-01 0.934E-01 DAV: 6 -0.132735861824E+04 0.51347E-02 -0.24518E-02 1536 0.544E-02 0.606E-02 DAV: 7 -0.132735869578E+04 -0.77547E-04 -0.29736E-04 1504 0.225E-02 84 F= -.13463416E+04 E0= -.13463030E+04 d E =-.579046E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132734737315E+04 0.11245E-01 -0.19155E+01 1408 0.547E+00 0.177E+00 DAV: 2 -0.132746702933E+04 -0.11966E+00 -0.76313E-01 1632 0.903E-01 0.268E+00 DAV: 3 -0.132746315686E+04 0.38725E-02 -0.12750E+00 1568 0.286E-01 0.296E+00 DAV: 4 -0.132739304858E+04 0.70108E-01 -0.48244E-01 1504 0.173E-01 0.790E-01 DAV: 5 -0.132739406005E+04 -0.10115E-02 -0.12754E-01 1536 0.127E-01 0.922E-01 DAV: 6 -0.132738914307E+04 0.49170E-02 -0.31751E-02 1536 0.630E-02 0.101E-01 DAV: 7 -0.132738921718E+04 -0.74113E-04 -0.39125E-04 1600 0.263E-02 85 F= -.13463667E+04 E0= -.13463281E+04 d E =-.830309E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132742246649E+04 -0.33323E-01 -0.70440E+00 1408 0.335E+00 0.106E+00 DAV: 2 -0.132749470202E+04 -0.72236E-01 -0.37319E-01 1600 0.554E-01 0.214E+00 DAV: 3 -0.132745141882E+04 0.43283E-01 -0.46874E-01 1536 0.187E-01 0.150E+00 DAV: 4 -0.132744061584E+04 0.10803E-01 -0.21441E-01 1504 0.961E-02 0.712E-01 DAV: 5 -0.132744325742E+04 -0.26416E-02 -0.12747E-01 1632 0.981E-02 0.988E-01 DAV: 6 -0.132743747460E+04 0.57828E-02 -0.26213E-02 1568 0.499E-02 0.612E-02 DAV: 7 -0.132743751664E+04 -0.42044E-04 -0.26312E-04 1408 0.209E-02 86 F= -.13464111E+04 E0= -.13463725E+04 d E =-.443748E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132741037438E+04 0.27100E-01 -0.38755E+01 1408 0.785E+00 0.251E+00 DAV: 2 -0.132785613106E+04 -0.44576E+00 -0.42560E+00 1664 0.131E+00 0.645E+00 DAV: 3 -0.132755106880E+04 0.30506E+00 -0.63665E+00 1568 0.451E-01 0.275E+00 DAV: 4 -0.132749496899E+04 0.56100E-01 -0.38784E-01 1536 0.212E-01 0.873E-01 DAV: 5 -0.132749366978E+04 0.12992E-02 -0.10118E-01 1632 0.169E-01 0.753E-01 DAV: 6 -0.132749088333E+04 0.27864E-02 -0.25410E-02 1664 0.805E-02 0.160E-01 DAV: 7 -0.132749088666E+04 -0.33307E-05 -0.25251E-03 1664 0.320E-02 0.113E-01 DAV: 8 -0.132749086893E+04 0.17728E-04 -0.80100E-04 1120 0.139E-02 87 F= -.13464551E+04 E0= -.13464165E+04 d E =-.883682E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132752644707E+04 -0.35560E-01 -0.52063E+00 1408 0.289E+00 0.106E+00 DAV: 2 -0.132762026313E+04 -0.93816E-01 -0.50551E-01 1632 0.499E-01 0.274E+00 DAV: 3 -0.132754398511E+04 0.76278E-01 -0.39374E-01 1536 0.204E-01 0.108E+00 DAV: 4 -0.132753884767E+04 0.51374E-02 -0.11887E-01 1504 0.882E-02 0.585E-01 DAV: 5 -0.132753974487E+04 -0.89720E-03 -0.72712E-02 1632 0.739E-02 0.700E-01 DAV: 6 -0.132753698941E+04 0.27555E-02 -0.20041E-02 1504 0.410E-02 0.129E-01 DAV: 7 -0.132753699184E+04 -0.24299E-05 -0.20159E-03 1152 0.174E-02 0.849E-02 DAV: 8 -0.132753697624E+04 0.15600E-04 -0.21432E-04 1088 0.660E-03 88 F= -.13464969E+04 E0= -.13464583E+04 d E =-.418377E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132755922056E+04 -0.22229E-01 -0.18950E+01 1408 0.552E+00 0.199E+00 DAV: 2 -0.132789141914E+04 -0.33220E+00 -0.31218E+00 1600 0.946E-01 0.606E+00 DAV: 3 -0.132762339107E+04 0.26803E+00 -0.46664E+00 1536 0.375E-01 0.197E+00 DAV: 4 -0.132759959785E+04 0.23793E-01 -0.22888E-01 1504 0.164E-01 0.700E-01 DAV: 5 -0.132759826864E+04 0.13292E-02 -0.59579E-02 1600 0.114E-01 0.521E-01 DAV: 6 -0.132759696680E+04 0.13018E-02 -0.49009E-03 1728 0.585E-02 0.731E-02 DAV: 7 -0.132759702091E+04 -0.54112E-04 -0.66754E-04 1440 0.230E-02 89 F= -.13465487E+04 E0= -.13465101E+04 d E =-.936355E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132745260980E+04 0.14436E+00 -0.75824E+01 1408 0.110E+01 0.392E+00 DAV: 2 -0.132855046730E+04 -0.10979E+01 -0.12089E+01 1600 0.189E+00 0.720E+00 DAV: 3 -0.132770411160E+04 0.84636E+00 -0.86549E+00 1536 0.735E-01 0.316E+00 DAV: 4 -0.132762926910E+04 0.74842E-01 -0.11867E+00 1536 0.326E-01 0.172E+00 DAV: 5 -0.132763801360E+04 -0.87445E-02 -0.68504E-01 1600 0.269E-01 0.220E+00 DAV: 6 -0.132760837169E+04 0.29642E-01 -0.32426E-01 1568 0.157E-01 0.782E-01 DAV: 7 -0.132760601352E+04 0.23582E-02 -0.78213E-02 1600 0.775E-02 0.520E-01 DAV: 8 -0.132760449877E+04 0.15148E-02 -0.44032E-04 1504 0.280E-02 0.593E-02 DAV: 9 -0.132760463872E+04 -0.13996E-03 -0.16579E-04 1216 0.203E-02 0.650E-02 DAV: 10 -0.132760472222E+04 -0.83501E-04 -0.52822E-05 1056 0.120E-02 90 F= -.13465395E+04 E0= -.13465010E+04 d E =-.844509E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132757164436E+04 0.32994E-01 -0.23888E+01 1472 0.621E+00 0.218E+00 DAV: 2 -0.132789197921E+04 -0.32033E+00 -0.18704E+00 1600 0.105E+00 0.358E+00 DAV: 3 -0.132765359387E+04 0.23839E+00 -0.16121E+00 1568 0.395E-01 0.178E+00 DAV: 4 -0.132762874407E+04 0.24850E-01 -0.38177E-01 1568 0.188E-01 0.128E+00 DAV: 5 -0.132765536759E+04 -0.26624E-01 -0.64392E-01 1568 0.189E-01 0.174E+00 DAV: 6 -0.132762006034E+04 0.35307E-01 -0.60523E-03 1600 0.110E-01 0.355E-01 DAV: 7 -0.132761946746E+04 0.59288E-03 -0.86714E-03 1664 0.463E-02 0.104E-01 DAV: 8 -0.132761949033E+04 -0.22875E-04 -0.14343E-03 1184 0.162E-02 0.105E-01 DAV: 9 -0.132762025206E+04 -0.76173E-03 -0.44360E-03 1088 0.191E-02 0.365E-01 DAV: 10 -0.132761946226E+04 0.78980E-03 -0.98023E-05 1120 0.137E-02 0.348E-02 DAV: 11 -0.132761946377E+04 -0.15096E-05 -0.14035E-05 1056 0.481E-03 91 F= -.13465638E+04 E0= -.13465252E+04 d E =-.108734E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132766220024E+04 -0.42738E-01 -0.11063E+01 1472 0.418E+00 0.126E+00 DAV: 2 -0.132789100873E+04 -0.22881E+00 -0.20525E+00 1600 0.746E-01 0.516E+00 DAV: 3 -0.132768725314E+04 0.20376E+00 -0.22754E+00 1536 0.293E-01 0.815E-01 DAV: 4 -0.132768414487E+04 0.31083E-02 -0.38890E-02 1568 0.115E-01 0.442E-01 DAV: 5 -0.132768452555E+04 -0.38068E-03 -0.25482E-02 1632 0.898E-02 0.465E-01 DAV: 6 -0.132768340452E+04 0.11210E-02 -0.34003E-03 1600 0.463E-02 0.108E-01 DAV: 7 -0.132768337652E+04 0.28003E-04 -0.75667E-04 1216 0.190E-02 92 F= -.13466195E+04 E0= -.13465810E+04 d E =-.557268E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132766813353E+04 0.15271E-01 -0.36534E+01 1408 0.760E+00 0.226E+00 DAV: 2 -0.132833803751E+04 -0.66990E+00 -0.69702E+00 1600 0.135E+00 0.700E+00 DAV: 3 -0.132775342528E+04 0.58461E+00 -0.50753E+00 1600 0.512E-01 0.153E+00 DAV: 4 -0.132774470587E+04 0.87194E-02 -0.21875E-01 1600 0.205E-01 0.102E+00 DAV: 5 -0.132775340190E+04 -0.86960E-02 -0.22834E-01 1632 0.183E-01 0.151E+00 DAV: 6 -0.132773937437E+04 0.14028E-01 -0.37116E-02 1664 0.969E-02 0.262E-01 DAV: 7 -0.132773928065E+04 0.93721E-04 -0.72064E-03 1600 0.454E-02 0.181E-01 DAV: 8 -0.132773912086E+04 0.15979E-03 -0.14246E-04 1184 0.182E-02 0.328E-02 DAV: 9 -0.132773920477E+04 -0.83914E-04 -0.87609E-05 1152 0.142E-02 93 F= -.13466601E+04 E0= -.13466216E+04 d E =-.963516E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132777930827E+04 -0.40187E-01 -0.87029E+00 1408 0.373E+00 0.129E+00 DAV: 2 -0.132788623117E+04 -0.10692E+00 -0.74824E-01 1568 0.644E-01 0.276E+00 DAV: 3 -0.132781429854E+04 0.71933E-01 -0.65751E-01 1632 0.236E-01 0.162E+00 DAV: 4 -0.132780043678E+04 0.13862E-01 -0.18499E-01 1536 0.117E-01 0.749E-01 DAV: 5 -0.132780359456E+04 -0.31578E-02 -0.12153E-01 1600 0.107E-01 0.102E+00 DAV: 6 -0.132779720754E+04 0.63870E-02 -0.14676E-03 1600 0.580E-02 0.674E-02 DAV: 7 -0.132779732331E+04 -0.11577E-03 -0.33541E-04 1344 0.231E-02 0.101E-01 DAV: 8 -0.132779730375E+04 0.19560E-04 -0.44383E-05 1120 0.102E-02 94 F= -.13467096E+04 E0= -.13466711E+04 d E =-.494316E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132779156882E+04 0.57545E-02 -0.26204E+01 1408 0.647E+00 0.229E+00 DAV: 2 -0.132812481776E+04 -0.33325E+00 -0.33029E+00 1632 0.112E+00 0.596E+00 DAV: 3 -0.132789495395E+04 0.22986E+00 -0.52509E+00 1632 0.406E-01 0.250E+00 DAV: 4 -0.132784659284E+04 0.48361E-01 -0.11136E-01 1536 0.195E-01 0.617E-01 DAV: 5 -0.132784633031E+04 0.26253E-03 -0.34641E-02 1664 0.141E-01 0.510E-01 DAV: 6 -0.132784509542E+04 0.12349E-02 -0.19175E-03 1792 0.690E-02 0.128E-01 DAV: 7 -0.132784513424E+04 -0.38815E-04 -0.34712E-04 1568 0.251E-02 95 F= -.13467422E+04 E0= -.13467039E+04 d E =-.820690E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132788016113E+04 -0.35066E-01 -0.95590E+00 1408 0.391E+00 0.126E+00 DAV: 2 -0.132804389499E+04 -0.16373E+00 -0.12717E+00 1632 0.673E-01 0.401E+00 DAV: 3 -0.132790775624E+04 0.13614E+00 -0.10639E+00 1568 0.257E-01 0.113E+00 DAV: 4 -0.132790082879E+04 0.69275E-02 -0.57090E-02 1568 0.106E-01 0.506E-01 DAV: 5 -0.132790143216E+04 -0.60337E-03 -0.33866E-02 1568 0.849E-02 0.578E-01 DAV: 6 -0.132789957024E+04 0.18619E-02 -0.95531E-04 1632 0.432E-02 0.774E-02 DAV: 7 -0.132789961783E+04 -0.47588E-04 -0.16019E-04 1216 0.184E-02 96 F= -.13467899E+04 E0= -.13467516E+04 d E =-.476457E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132785374607E+04 0.45824E-01 -0.52523E+01 1408 0.917E+00 0.295E+00 DAV: 2 -0.132872228385E+04 -0.86854E+00 -0.94559E+00 1600 0.157E+00 0.723E+00 DAV: 3 -0.132799993644E+04 0.72235E+00 -0.67726E+00 1600 0.587E-01 0.229E+00 DAV: 4 -0.132797066863E+04 0.29268E-01 -0.50703E-01 1568 0.252E-01 0.137E+00 DAV: 5 -0.132797875468E+04 -0.80860E-02 -0.39058E-01 1568 0.209E-01 0.174E+00 DAV: 6 -0.132795862145E+04 0.20133E-01 -0.73111E-03 1600 0.113E-01 0.279E-01 DAV: 7 -0.132795871002E+04 -0.88570E-04 -0.13096E-03 1632 0.527E-02 0.269E-01 DAV: 8 -0.132795834716E+04 0.36286E-03 -0.21239E-04 1376 0.196E-02 0.512E-02 DAV: 9 -0.132795844209E+04 -0.94934E-04 -0.79962E-05 1056 0.166E-02 97 F= -.13468322E+04 E0= -.13467940E+04 d E =-.900138E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132799185280E+04 -0.33506E-01 -0.11382E+01 1408 0.425E+00 0.140E+00 DAV: 2 -0.132821117138E+04 -0.21932E+00 -0.20343E+00 1600 0.728E-01 0.489E+00 DAV: 3 -0.132802324760E+04 0.18792E+00 -0.21430E+00 1536 0.277E-01 0.114E+00 DAV: 4 -0.132801586447E+04 0.73831E-02 -0.13131E-02 1568 0.116E-01 0.482E-01 DAV: 5 -0.132801616953E+04 -0.30506E-03 -0.72080E-03 1600 0.930E-02 0.501E-01 DAV: 6 -0.132801478800E+04 0.13815E-02 -0.10118E-03 1600 0.439E-02 0.839E-02 DAV: 7 -0.132801480925E+04 -0.21255E-04 -0.17478E-04 1344 0.188E-02 98 F= -.13468823E+04 E0= -.13468443E+04 d E =-.501005E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132796575851E+04 0.49029E-01 -0.55321E+01 1408 0.937E+00 0.308E+00 DAV: 2 -0.132890259229E+04 -0.93683E+00 -0.10473E+01 1632 0.160E+00 0.738E+00 DAV: 3 -0.132812091641E+04 0.78168E+00 -0.70795E+00 1632 0.610E-01 0.230E+00 DAV: 4 -0.132808951164E+04 0.31405E-01 -0.46345E-01 1568 0.251E-01 0.142E+00 DAV: 5 -0.132810346767E+04 -0.13956E-01 -0.41258E-01 1568 0.226E-01 0.188E+00 DAV: 6 -0.132807727841E+04 0.26189E-01 -0.88844E-03 1600 0.118E-01 0.300E-01 DAV: 7 -0.132807727341E+04 0.49949E-05 -0.14310E-03 1632 0.536E-02 0.275E-01 DAV: 8 -0.132807688345E+04 0.38996E-03 -0.20829E-04 1280 0.195E-02 0.655E-02 DAV: 9 -0.132807696762E+04 -0.84169E-04 -0.15235E-04 1184 0.197E-02 99 F= -.13469300E+04 E0= -.13468921E+04 d E =-.977981E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132811909288E+04 -0.42209E-01 -0.16970E+01 1408 0.520E+00 0.161E+00 DAV: 2 -0.132837342761E+04 -0.25433E+00 -0.25084E+00 1664 0.890E-01 0.518E+00 DAV: 3 -0.132817062135E+04 0.20281E+00 -0.27421E+00 1632 0.316E-01 0.147E+00 DAV: 4 -0.132815619342E+04 0.14428E-01 -0.10385E-02 1504 0.142E-01 0.539E-01 DAV: 5 -0.132815608350E+04 0.10992E-03 -0.55949E-03 1664 0.104E-01 0.498E-01 DAV: 6 -0.132815476956E+04 0.13139E-02 -0.12960E-03 1696 0.522E-02 0.814E-02 DAV: 7 -0.132815484006E+04 -0.70502E-04 -0.18624E-04 1312 0.189E-02 100 F= -.13470017E+04 E0= -.13469641E+04 d E =-.717237E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132808807140E+04 0.66698E-01 -0.63601E+01 1408 0.101E+01 0.311E+00 DAV: 2 -0.132894894221E+04 -0.86087E+00 -0.96055E+00 1600 0.171E+00 0.743E+00 DAV: 3 -0.132828593920E+04 0.66300E+00 -0.79343E+00 1600 0.599E-01 0.251E+00 DAV: 4 -0.132822839879E+04 0.57540E-01 -0.19222E-01 1536 0.270E-01 0.107E+00 DAV: 5 -0.132823455880E+04 -0.61600E-02 -0.12811E-01 1632 0.212E-01 0.137E+00 DAV: 6 -0.132822278438E+04 0.11774E-01 -0.63950E-03 1600 0.115E-01 0.399E-01 DAV: 7 -0.132822252891E+04 0.25547E-03 -0.14079E-03 1632 0.512E-02 0.308E-01 DAV: 8 -0.132822203748E+04 0.49143E-03 -0.19688E-04 1216 0.202E-02 0.626E-02 DAV: 9 -0.132822220067E+04 -0.16319E-03 -0.18478E-04 1216 0.197E-02 0.418E-02 DAV: 10 -0.132822228423E+04 -0.83552E-04 -0.45989E-05 1088 0.115E-02 101 F= -.13470563E+04 E0= -.13470188E+04 d E =-.126316E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132825838184E+04 -0.36181E-01 -0.10741E+01 1408 0.413E+00 0.111E+00 DAV: 2 -0.132841291280E+04 -0.15453E+00 -0.12987E+00 1600 0.686E-01 0.358E+00 DAV: 3 -0.132828771968E+04 0.12519E+00 -0.63338E-01 1600 0.238E-01 0.995E-01 DAV: 4 -0.132828180349E+04 0.59162E-02 -0.56085E-03 1568 0.103E-01 0.462E-01 DAV: 5 -0.132828359392E+04 -0.17904E-02 -0.46568E-03 1632 0.982E-02 0.668E-01 DAV: 6 -0.132828090178E+04 0.26921E-02 -0.13079E-03 1600 0.490E-02 0.109E-01 DAV: 7 -0.132828096233E+04 -0.60546E-04 -0.22250E-04 1312 0.205E-02 102 F= -.13471098E+04 E0= -.13470728E+04 d E =-.534824E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132820211459E+04 0.78787E-01 -0.96656E+01 1408 0.124E+01 0.329E+00 DAV: 2 -0.132927226244E+04 -0.10701E+01 -0.12319E+01 1632 0.204E+00 0.763E+00 DAV: 3 -0.132847848260E+04 0.79378E+00 -0.85007E+00 1600 0.680E-01 0.257E+00 DAV: 4 -0.132841238802E+04 0.66095E-01 -0.14332E-01 1568 0.298E-01 0.117E+00 DAV: 5 -0.132842680531E+04 -0.14417E-01 -0.11920E-01 1696 0.280E-01 0.168E+00 DAV: 6 -0.132840617700E+04 0.20628E-01 -0.11038E-02 1600 0.139E-01 0.423E-01 DAV: 7 -0.132840660443E+04 -0.42743E-03 -0.20962E-03 1568 0.671E-02 0.448E-01 DAV: 8 -0.132840543897E+04 0.11655E-02 -0.44055E-04 1504 0.286E-02 0.110E-01 DAV: 9 -0.132840549267E+04 -0.53709E-04 -0.12735E-04 1184 0.198E-02 103 F= -.13472173E+04 E0= -.13471805E+04 d E =-.160996E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132758548306E+04 0.81996E+00 -0.38597E+02 1408 0.248E+01 0.645E+00 DAV: 2 -0.132992728161E+04 -0.23418E+01 -0.29113E+01 1664 0.402E+00 0.839E+00 DAV: 3 -0.132875331903E+04 0.11740E+01 -0.17796E+01 1632 0.120E+00 0.354E+00 DAV: 4 -0.132845915988E+04 0.29416E+00 -0.19121E-01 1664 0.551E-01 0.208E+00 DAV: 5 -0.132877741371E+04 -0.31825E+00 -0.48746E+00 1600 0.547E-01 0.649E+00 DAV: 6 -0.132847583883E+04 0.30157E+00 -0.59969E+00 1600 0.486E-01 0.199E+00 DAV: 7 -0.132843506574E+04 0.40773E-01 -0.17600E-02 1536 0.176E-01 0.538E-01 DAV: 8 -0.132843387634E+04 0.11894E-02 -0.39087E-03 1632 0.793E-02 0.292E-01 DAV: 9 -0.132843391703E+04 -0.40691E-04 -0.72990E-04 1536 0.433E-02 104 F= -.13472058E+04 E0= -.13471684E+04 d E =-.149496E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132819750336E+04 0.23637E+00 -0.12157E+02 1440 0.139E+01 0.370E+00 DAV: 2 -0.132896911645E+04 -0.77161E+00 -0.58888E+00 1600 0.230E+00 0.353E+00 DAV: 3 -0.132846365156E+04 0.50546E+00 -0.35931E-01 1632 0.676E-01 0.131E+00 DAV: 4 -0.132846229759E+04 0.13540E-02 -0.13663E-01 1696 0.333E-01 0.135E+00 DAV: 5 -0.132861699003E+04 -0.15469E+00 -0.46775E-01 1600 0.300E-01 0.264E+00 DAV: 6 -0.132845358424E+04 0.16341E+00 -0.46505E-02 1536 0.303E-01 0.273E-01 DAV: 7 -0.132845424675E+04 -0.66251E-03 -0.81698E-03 1632 0.103E-01 0.157E-01 DAV: 8 -0.132845460164E+04 -0.35490E-03 -0.68003E-04 1632 0.333E-02 0.301E-01 DAV: 9 -0.132845453518E+04 0.66466E-04 -0.37021E-04 1216 0.233E-02 105 F= -.13472497E+04 E0= -.13472146E+04 d E =-.193406E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132849410142E+04 -0.39500E-01 -0.38625E+01 1472 0.784E+00 0.211E+00 DAV: 2 -0.132891024191E+04 -0.41614E+00 -0.46047E+00 1632 0.131E+00 0.640E+00 DAV: 3 -0.132861244782E+04 0.29779E+00 -0.52243E+00 1600 0.418E-01 0.196E+00 DAV: 4 -0.132857809079E+04 0.34357E-01 -0.20127E-02 1600 0.203E-01 0.537E-01 DAV: 5 -0.132857722080E+04 0.86998E-03 -0.13181E-02 1632 0.154E-01 0.231E-01 DAV: 6 -0.132857726811E+04 -0.47312E-04 -0.23614E-03 1728 0.743E-02 0.902E-02 DAV: 7 -0.132857733122E+04 -0.63102E-04 -0.28218E-04 1504 0.235E-02 106 F= -.13473597E+04 E0= -.13473236E+04 d E =-.109964E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132847854397E+04 0.98724E-01 -0.86653E+01 1408 0.117E+01 0.321E+00 DAV: 2 -0.132947756049E+04 -0.99902E+00 -0.11750E+01 1632 0.198E+00 0.776E+00 DAV: 3 -0.132872824701E+04 0.74931E+00 -0.86397E+00 1600 0.654E-01 0.241E+00 DAV: 4 -0.132866678484E+04 0.61462E-01 -0.46919E-02 1600 0.301E-01 0.937E-01 DAV: 5 -0.132866955578E+04 -0.27709E-02 -0.29821E-02 1632 0.231E-01 0.981E-01 DAV: 6 -0.132866507600E+04 0.44798E-02 -0.66392E-03 1600 0.124E-01 0.531E-01 DAV: 7 -0.132866461393E+04 0.46207E-03 -0.16551E-03 1600 0.553E-02 0.401E-01 DAV: 8 -0.132866374525E+04 0.86868E-03 -0.36021E-04 1216 0.276E-02 0.157E-01 DAV: 9 -0.132866371490E+04 0.30354E-04 -0.16118E-04 1216 0.189E-02 107 F= -.13474258E+04 E0= -.13473898E+04 d E =-.176073E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132867832250E+04 -0.14577E-01 -0.59636E+01 1408 0.969E+00 0.247E+00 DAV: 2 -0.132919929713E+04 -0.52097E+00 -0.59120E+00 1600 0.159E+00 0.682E+00 DAV: 3 -0.132885922352E+04 0.34007E+00 -0.66099E+00 1600 0.483E-01 0.220E+00 DAV: 4 -0.132880808274E+04 0.51141E-01 -0.26244E-02 1568 0.235E-01 0.649E-01 DAV: 5 -0.132880708736E+04 0.99538E-03 -0.22841E-02 1600 0.204E-01 0.372E-01 DAV: 6 -0.132880699375E+04 0.93605E-04 -0.40748E-03 1760 0.965E-02 0.210E-01 DAV: 7 -0.132880696024E+04 0.33514E-04 -0.49524E-04 1600 0.310E-02 108 F= -.13475528E+04 E0= -.13475166E+04 d E =-.127021E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132871860222E+04 0.88392E-01 -0.77964E+01 1408 0.111E+01 0.286E+00 DAV: 2 -0.132944845899E+04 -0.72986E+00 -0.84738E+00 1632 0.184E+00 0.753E+00 DAV: 3 -0.132894916300E+04 0.49930E+00 -0.84121E+00 1632 0.569E-01 0.233E+00 DAV: 4 -0.132888746140E+04 0.61702E-01 -0.37284E-02 1632 0.272E-01 0.735E-01 DAV: 5 -0.132888605354E+04 0.14079E-02 -0.26036E-02 1632 0.218E-01 0.398E-01 DAV: 6 -0.132888626927E+04 -0.21574E-03 -0.46511E-03 1696 0.103E-01 0.273E-01 DAV: 7 -0.132888617914E+04 0.90126E-04 -0.60801E-04 1600 0.364E-02 109 F= -.13476131E+04 E0= -.13475767E+04 d E =-.187299E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132890984072E+04 -0.23571E-01 -0.66571E+01 1408 0.103E+01 0.270E+00 DAV: 2 -0.132939210954E+04 -0.48227E+00 -0.54426E+00 1600 0.166E+00 0.632E+00 DAV: 3 -0.132913207610E+04 0.26003E+00 -0.66132E+00 1664 0.500E-01 0.238E+00 DAV: 4 -0.132905492960E+04 0.77147E-01 -0.31384E-02 1632 0.249E-01 0.872E-01 DAV: 5 -0.132906480344E+04 -0.98738E-02 -0.17843E-01 1632 0.237E-01 0.150E+00 DAV: 6 -0.132905621279E+04 0.85906E-02 -0.18103E-01 1600 0.132E-01 0.861E-01 DAV: 7 -0.132905106582E+04 0.51470E-02 -0.19732E-03 1568 0.581E-02 0.186E-01 DAV: 8 -0.132905095771E+04 0.10811E-03 -0.23890E-04 1344 0.206E-02 0.490E-02 DAV: 9 -0.132905108453E+04 -0.12682E-03 -0.95820E-05 1088 0.145E-02 0.335E-02 DAV: 10 -0.132905118966E+04 -0.10513E-03 -0.35556E-05 1088 0.100E-02 0.243E-02 DAV: 11 -0.132905127112E+04 -0.81460E-04 -0.21055E-05 1120 0.669E-03 110 F= -.13477615E+04 E0= -.13477261E+04 d E =-.148375E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132898831598E+04 0.62874E-01 -0.75081E+01 1408 0.110E+01 0.280E+00 DAV: 2 -0.132938185510E+04 -0.39354E+00 -0.41142E+00 1632 0.174E+00 0.487E+00 DAV: 3 -0.132926833720E+04 0.11352E+00 -0.37391E+00 1696 0.503E-01 0.250E+00 DAV: 4 -0.132915762599E+04 0.11071E+00 -0.38940E-02 1568 0.263E-01 0.118E+00 DAV: 5 -0.132919920990E+04 -0.41584E-01 -0.76361E-01 1664 0.270E-01 0.246E+00 DAV: 6 -0.132915098075E+04 0.48229E-01 -0.46803E-01 1568 0.163E-01 0.651E-01 DAV: 7 -0.132914805665E+04 0.29241E-02 -0.21776E-03 1600 0.638E-02 0.974E-02 DAV: 8 -0.132914813682E+04 -0.80172E-04 -0.42155E-04 1664 0.251E-02 111 F= -.13478406E+04 E0= -.13478051E+04 d E =-.227517E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132843674384E+04 0.71131E+00 -0.29973E+02 1408 0.220E+01 0.561E+00 DAV: 2 -0.132969895140E+04 -0.12622E+01 -0.14572E+01 1632 0.349E+00 0.780E+00 DAV: 3 -0.132947512128E+04 0.22383E+00 -0.20371E+01 1696 0.102E+00 0.333E+00 DAV: 4 -0.132922844121E+04 0.24668E+00 -0.15246E-01 1632 0.508E-01 0.260E+00 DAV: 5 -0.132922623247E+04 0.22087E-02 -0.26818E+00 1568 0.548E-01 0.321E+00 DAV: 6 -0.132909994176E+04 0.12629E+00 -0.79324E-01 1632 0.318E-01 0.980E-01 DAV: 7 -0.132909333619E+04 0.66056E-02 -0.76303E-03 1632 0.125E-01 0.448E-01 DAV: 8 -0.132909249517E+04 0.84102E-03 -0.16628E-03 1728 0.500E-02 0.110E-01 DAV: 9 -0.132909333426E+04 -0.83909E-03 -0.30201E-04 1280 0.313E-02 0.337E-01 DAV: 10 -0.132909304737E+04 0.28689E-03 -0.37600E-04 1280 0.286E-02 0.105E-01 DAV: 11 -0.132909314451E+04 -0.97136E-04 -0.92651E-05 1216 0.140E-02 112 F= -.13477510E+04 E0= -.13477160E+04 d E =-.137924E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132878829366E+04 0.30475E+00 -0.17605E+02 1440 0.169E+01 0.444E+00 DAV: 2 -0.132949608683E+04 -0.70779E+00 -0.48949E+00 1600 0.268E+00 0.321E+00 DAV: 3 -0.132928554541E+04 0.21054E+00 -0.24514E+00 1696 0.709E-01 0.315E+00 DAV: 4 -0.132926559063E+04 0.19955E-01 -0.19580E+00 1568 0.396E-01 0.240E+00 DAV: 5 -0.132924190759E+04 0.23683E-01 -0.16561E+00 1600 0.454E-01 0.271E+00 DAV: 6 -0.132916795966E+04 0.73948E-01 -0.49431E-01 1632 0.228E-01 0.503E-01 DAV: 7 -0.132917110206E+04 -0.31424E-02 -0.70281E-03 1632 0.115E-01 0.881E-01 DAV: 8 -0.132916698643E+04 0.41156E-02 -0.15791E-03 1600 0.551E-02 0.294E-01 DAV: 9 -0.132916677225E+04 0.21418E-03 -0.43574E-04 1440 0.356E-02 0.245E-01 DAV: 10 -0.132916646894E+04 0.30331E-03 -0.17150E-04 1184 0.173E-02 0.190E-02 DAV: 11 -0.132916655227E+04 -0.83332E-04 -0.42538E-05 1152 0.104E-02 113 F= -.13478508E+04 E0= -.13478154E+04 d E =-.237711E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132915096459E+04 0.15504E-01 -0.73212E+01 1408 0.109E+01 0.275E+00 DAV: 2 -0.132946624975E+04 -0.31529E+00 -0.32877E+00 1632 0.170E+00 0.351E+00 DAV: 3 -0.132944990748E+04 0.16342E-01 -0.26155E+00 1664 0.486E-01 0.249E+00 DAV: 4 -0.132931905512E+04 0.13085E+00 -0.44641E-02 1568 0.266E-01 0.120E+00 DAV: 5 -0.132938622008E+04 -0.67165E-01 -0.10663E+00 1600 0.278E-01 0.271E+00 DAV: 6 -0.132931251938E+04 0.73701E-01 -0.54461E-01 1568 0.186E-01 0.630E-01 DAV: 7 -0.132930986532E+04 0.26541E-02 -0.27481E-03 1600 0.731E-02 0.150E-01 DAV: 8 -0.132930987889E+04 -0.13567E-04 -0.52334E-04 1632 0.277E-02 114 F= -.13479805E+04 E0= -.13479452E+04 d E =-.129637E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132921035427E+04 0.99511E-01 -0.71837E+01 1408 0.108E+01 0.271E+00 DAV: 2 -0.132948478807E+04 -0.27443E+00 -0.28913E+00 1632 0.168E+00 0.314E+00 DAV: 3 -0.132952100462E+04 -0.36217E-01 -0.26007E+00 1632 0.473E-01 0.246E+00 DAV: 4 -0.132938258386E+04 0.13842E+00 -0.46358E-02 1536 0.263E-01 0.140E+00 DAV: 5 -0.132947085136E+04 -0.88268E-01 -0.15187E+00 1600 0.289E-01 0.290E+00 DAV: 6 -0.132936790627E+04 0.10295E+00 -0.47046E-01 1568 0.204E-01 0.301E-01 DAV: 7 -0.132936756457E+04 0.34171E-03 -0.28832E-03 1664 0.707E-02 0.131E-01 DAV: 8 -0.132936765741E+04 -0.92843E-04 -0.57493E-04 1632 0.300E-02 115 F= -.13480250E+04 E0= -.13479902E+04 d E =-.174209E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132940551417E+04 -0.37950E-01 -0.44857E+01 1408 0.853E+00 0.218E+00 DAV: 2 -0.132952309265E+04 -0.11758E+00 -0.12211E+00 1600 0.131E+00 0.175E+00 DAV: 3 -0.132965703395E+04 -0.13394E+00 -0.54930E-01 1664 0.366E-01 0.235E+00 DAV: 4 -0.132951790442E+04 0.13913E+00 -0.39766E-02 1536 0.221E-01 0.135E+00 DAV: 5 -0.132959898349E+04 -0.81079E-01 -0.14111E+00 1600 0.252E-01 0.287E+00 DAV: 6 -0.132950336538E+04 0.95618E-01 -0.42201E-01 1568 0.187E-01 0.175E-01 DAV: 7 -0.132950337748E+04 -0.12094E-04 -0.22857E-03 1632 0.604E-02 0.992E-02 DAV: 8 -0.132950345073E+04 -0.73249E-04 -0.66570E-04 1600 0.321E-02 116 F= -.13481506E+04 E0= -.13481163E+04 d E =-.125577E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132908933570E+04 0.41404E+00 -0.23124E+02 1408 0.194E+01 0.504E+00 DAV: 2 -0.132973458943E+04 -0.64525E+00 -0.69905E+00 1600 0.299E+00 0.361E+00 DAV: 3 -0.132997948946E+04 -0.24490E+00 -0.52366E+00 1664 0.830E-01 0.303E+00 DAV: 4 -0.132969006980E+04 0.28942E+00 -0.15840E-01 1536 0.442E-01 0.231E+00 DAV: 5 -0.132986657965E+04 -0.17651E+00 -0.44967E+00 1600 0.516E-01 0.524E+00 DAV: 6 -0.132961140267E+04 0.25518E+00 -0.25370E+00 1600 0.432E-01 0.126E+00 DAV: 7 -0.132959855962E+04 0.12843E-01 -0.12151E-02 1632 0.141E-01 0.534E-01 DAV: 8 -0.132959635401E+04 0.22056E-02 -0.25065E-03 1696 0.727E-02 0.108E-01 DAV: 9 -0.132959655925E+04 -0.20524E-03 -0.43240E-04 1600 0.344E-02 0.183E-01 DAV: 10 -0.132959655066E+04 0.85860E-05 -0.19941E-04 1120 0.227E-02 117 F= -.13482220E+04 E0= -.13481884E+04 d E =-.196927E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132956962153E+04 0.26938E-01 -0.14756E+01 1408 0.489E+00 0.127E+00 DAV: 2 -0.132963187679E+04 -0.62255E-01 -0.38305E-01 1632 0.764E-01 0.169E+00 DAV: 3 -0.132965661204E+04 -0.24735E-01 -0.93628E-01 1632 0.224E-01 0.259E+00 DAV: 4 -0.132960288562E+04 0.53726E-01 -0.43109E-01 1568 0.142E-01 0.507E-01 DAV: 5 -0.132960338000E+04 -0.49438E-03 -0.91590E-03 1600 0.134E-01 0.515E-01 DAV: 6 -0.132960177923E+04 0.16008E-02 -0.15506E-03 1664 0.581E-02 0.900E-02 DAV: 7 -0.132960184304E+04 -0.63816E-04 -0.67636E-04 1504 0.312E-02 118 F= -.13482326E+04 E0= -.13481984E+04 d E =-.207517E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132963214980E+04 -0.30371E-01 -0.45040E+01 1408 0.857E+00 0.221E+00 DAV: 2 -0.132975974240E+04 -0.12759E+00 -0.13643E+00 1696 0.133E+00 0.218E+00 DAV: 3 -0.132987256236E+04 -0.11282E+00 -0.11623E+00 1632 0.358E-01 0.233E+00 DAV: 4 -0.132974589229E+04 0.12667E+00 -0.38057E-02 1536 0.230E-01 0.146E+00 DAV: 5 -0.132980815540E+04 -0.62263E-01 -0.12731E+00 1600 0.260E-01 0.282E+00 DAV: 6 -0.132972753087E+04 0.80625E-01 -0.48101E-01 1568 0.169E-01 0.329E-01 DAV: 7 -0.132972698140E+04 0.54947E-03 -0.18148E-03 1600 0.550E-02 0.135E-01 DAV: 8 -0.132972705330E+04 -0.71900E-04 -0.37169E-04 1568 0.263E-02 119 F= -.13483493E+04 E0= -.13483145E+04 d E =-.116728E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132951846145E+04 0.20852E+00 -0.13233E+02 1408 0.147E+01 0.379E+00 DAV: 2 -0.132983451754E+04 -0.31606E+00 -0.34613E+00 1664 0.228E+00 0.217E+00 DAV: 3 -0.133004833036E+04 -0.21381E+00 -0.59748E-01 1696 0.565E-01 0.264E+00 DAV: 4 -0.132982148407E+04 0.22685E+00 -0.94390E-02 1536 0.330E-01 0.159E+00 DAV: 5 -0.133010190198E+04 -0.28042E+00 -0.41432E+00 1632 0.435E-01 0.563E+00 DAV: 6 -0.132980171212E+04 0.30019E+00 -0.19787E+00 1536 0.328E-01 0.394E-01 DAV: 7 -0.132980178871E+04 -0.76583E-04 -0.86810E-03 1664 0.105E-01 0.167E-01 DAV: 8 -0.132980181379E+04 -0.25085E-04 -0.17176E-03 1632 0.599E-02 0.134E-01 DAV: 9 -0.132980178506E+04 0.28728E-04 -0.22479E-04 1312 0.274E-02 120 F= -.13484107E+04 E0= -.13483763E+04 d E =-.178156E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132977402023E+04 0.27794E-01 -0.56968E+01 1408 0.955E+00 0.226E+00 DAV: 2 -0.132990389627E+04 -0.12988E+00 -0.14420E+00 1664 0.147E+00 0.119E+00 DAV: 3 -0.132996718129E+04 -0.63285E-01 -0.50469E-02 1664 0.311E-01 0.215E+00 DAV: 4 -0.132989566357E+04 0.71518E-01 -0.26530E-02 1536 0.182E-01 0.744E-01 DAV: 5 -0.132989376754E+04 0.18960E-02 -0.19726E-02 1664 0.200E-01 0.395E-01 DAV: 6 -0.132989349411E+04 0.27342E-03 -0.37155E-03 1696 0.937E-02 0.318E-01 DAV: 7 -0.132989380690E+04 -0.31278E-03 -0.11121E-03 1568 0.423E-02 0.333E-01 DAV: 8 -0.132989328537E+04 0.52153E-03 -0.29989E-04 1056 0.252E-02 0.205E-01 DAV: 9 -0.132989309136E+04 0.19400E-03 -0.84439E-05 1088 0.137E-02 0.182E-02 DAV: 10 -0.132989317916E+04 -0.87795E-04 -0.32397E-05 1088 0.873E-03 121 F= -.13484947E+04 E0= -.13484606E+04 d E =-.840393E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132987573431E+04 0.17357E-01 -0.16370E+01 1408 0.512E+00 0.121E+00 DAV: 2 -0.132991388442E+04 -0.38150E-01 -0.41330E-01 1632 0.790E-01 0.739E-01 DAV: 3 -0.132996985760E+04 -0.55973E-01 -0.62080E-01 1664 0.187E-01 0.265E+00 DAV: 4 -0.132991030301E+04 0.59555E-01 -0.37805E-01 1568 0.123E-01 0.373E-01 DAV: 5 -0.132990967979E+04 0.62323E-03 -0.72709E-03 1600 0.118E-01 0.121E-01 DAV: 6 -0.132990969352E+04 -0.13729E-04 -0.11968E-03 1728 0.518E-02 0.603E-02 DAV: 7 -0.132990972817E+04 -0.34652E-04 -0.36227E-04 1472 0.250E-02 122 F= -.13485076E+04 E0= -.13484736E+04 d E =-.968470E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132996795483E+04 -0.58261E-01 -0.14376E+01 1408 0.495E+00 0.159E+00 DAV: 2 -0.133000397948E+04 -0.36025E-01 -0.37470E-01 1632 0.771E-01 0.948E-01 DAV: 3 -0.133012326133E+04 -0.11928E+00 -0.14064E+00 1696 0.240E-01 0.306E+00 DAV: 4 -0.132999711949E+04 0.12614E+00 -0.37191E-01 1536 0.176E-01 0.317E-01 DAV: 5 -0.132999739318E+04 -0.27369E-03 -0.81156E-03 1664 0.121E-01 0.331E-01 DAV: 6 -0.132999674752E+04 0.64566E-03 -0.12818E-03 1664 0.543E-02 0.112E-01 DAV: 7 -0.132999684659E+04 -0.99075E-04 -0.40999E-04 1440 0.274E-02 123 F= -.13485901E+04 E0= -.13485573E+04 d E =-.825216E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132999884221E+04 -0.20947E-02 -0.16370E+01 1408 0.528E+00 0.170E+00 DAV: 2 -0.133005233986E+04 -0.53498E-01 -0.42804E-01 1632 0.827E-01 0.149E+00 DAV: 3 -0.133016568523E+04 -0.11335E+00 -0.19117E+00 1664 0.268E-01 0.316E+00 DAV: 4 -0.133003178578E+04 0.13390E+00 -0.36894E-01 1600 0.197E-01 0.347E-01 DAV: 5 -0.133003217122E+04 -0.38544E-03 -0.10105E-02 1664 0.135E-01 0.377E-01 DAV: 6 -0.133003126558E+04 0.90564E-03 -0.15532E-03 1664 0.600E-02 0.123E-01 DAV: 7 -0.133003139168E+04 -0.12610E-03 -0.48726E-04 1472 0.297E-02 0.163E-01 DAV: 8 -0.133003127481E+04 0.11687E-03 -0.10288E-04 1024 0.143E-02 0.962E-02 DAV: 9 -0.133003128280E+04 -0.79879E-05 -0.42294E-05 1056 0.128E-02 124 F= -.13486197E+04 E0= -.13485865E+04 d E =-.112184E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133008351062E+04 -0.52236E-01 -0.12755E+01 1408 0.468E+00 0.132E+00 DAV: 2 -0.133011150942E+04 -0.27999E-01 -0.31349E-01 1664 0.707E-01 0.650E-01 DAV: 3 -0.133016781233E+04 -0.56303E-01 -0.58978E-01 1632 0.180E-01 0.265E+00 DAV: 4 -0.133010895967E+04 0.58853E-01 -0.37793E-01 1536 0.119E-01 0.334E-01 DAV: 5 -0.133010853087E+04 0.42881E-03 -0.52859E-03 1600 0.101E-01 0.107E-01 DAV: 6 -0.133010852586E+04 0.50047E-05 -0.89499E-04 1728 0.458E-02 125 F= -.13486935E+04 E0= -.13486598E+04 d E =-.737679E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133005728251E+04 0.51248E-01 -0.61930E+01 1408 0.103E+01 0.292E+00 DAV: 2 -0.133019667024E+04 -0.13939E+00 -0.15386E+00 1696 0.156E+00 0.147E+00 DAV: 3 -0.133041234046E+04 -0.21567E+00 -0.24599E+00 1632 0.401E-01 0.463E+00 DAV: 4 -0.133018175831E+04 0.23058E+00 -0.66678E-01 1536 0.267E-01 0.678E-01 DAV: 5 -0.133018018572E+04 0.15726E-02 -0.24662E-02 1632 0.214E-01 0.245E-01 DAV: 6 -0.133018002035E+04 0.16538E-03 -0.42412E-03 1792 0.100E-01 0.115E-01 DAV: 7 -0.133018012190E+04 -0.10156E-03 -0.10841E-03 1600 0.427E-02 0.620E-02 DAV: 8 -0.133018014121E+04 -0.19301E-04 -0.97158E-05 1056 0.194E-02 126 F= -.13487576E+04 E0= -.13487239E+04 d E =-.137888E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133021442506E+04 -0.34303E-01 -0.24663E+01 1408 0.651E+00 0.155E+00 DAV: 2 -0.133029017403E+04 -0.75749E-01 -0.60434E-01 1664 0.982E-01 0.164E+00 DAV: 3 -0.133036240007E+04 -0.72226E-01 -0.15201E+00 1664 0.266E-01 0.295E+00 DAV: 4 -0.133026388701E+04 0.98513E-01 -0.45495E-01 1600 0.185E-01 0.402E-01 DAV: 5 -0.133026315954E+04 0.72747E-03 -0.12933E-02 1696 0.160E-01 0.173E-01 DAV: 6 -0.133026303416E+04 0.12537E-03 -0.20352E-03 1728 0.663E-02 0.848E-02 DAV: 7 -0.133026304374E+04 -0.95800E-05 -0.75822E-04 1568 0.345E-02 127 F= -.13488378E+04 E0= -.13488040E+04 d E =-.801855E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133024983602E+04 0.13198E-01 -0.22995E+01 1408 0.628E+00 0.151E+00 DAV: 2 -0.133032030351E+04 -0.70467E-01 -0.56273E-01 1632 0.947E-01 0.159E+00 DAV: 3 -0.133039188718E+04 -0.71584E-01 -0.14602E+00 1664 0.259E-01 0.294E+00 DAV: 4 -0.133029614905E+04 0.95738E-01 -0.44858E-01 1632 0.180E-01 0.386E-01 DAV: 5 -0.133029543041E+04 0.71864E-03 -0.12508E-02 1664 0.157E-01 0.169E-01 DAV: 6 -0.133029530698E+04 0.12343E-03 -0.19967E-03 1728 0.649E-02 0.867E-02 DAV: 7 -0.133029530451E+04 0.24670E-05 -0.77965E-04 1504 0.345E-02 128 F= -.13488675E+04 E0= -.13488336E+04 d E =-.109871E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133032155473E+04 -0.26248E-01 -0.33353E+01 1408 0.760E+00 0.196E+00 DAV: 2 -0.133041435541E+04 -0.92801E-01 -0.84258E-01 1664 0.117E+00 0.165E+00 DAV: 3 -0.133055355395E+04 -0.13920E+00 -0.22791E+00 1664 0.321E-01 0.356E+00 DAV: 4 -0.133038986471E+04 0.16369E+00 -0.47447E-01 1536 0.233E-01 0.411E-01 DAV: 5 -0.133038948695E+04 0.37776E-03 -0.13156E-02 1664 0.156E-01 0.233E-01 DAV: 6 -0.133038930874E+04 0.17821E-03 -0.19765E-03 1760 0.690E-02 0.112E-01 DAV: 7 -0.133038931879E+04 -0.10053E-04 -0.50079E-04 1568 0.296E-02 129 F= -.13489629E+04 E0= -.13489297E+04 d E =-.953885E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133037542620E+04 0.13883E-01 -0.20328E+01 1408 0.593E+00 0.154E+00 DAV: 2 -0.133044853838E+04 -0.73112E-01 -0.51767E-01 1632 0.917E-01 0.175E+00 DAV: 3 -0.133050111841E+04 -0.52580E-01 -0.13706E+00 1632 0.252E-01 0.289E+00 DAV: 4 -0.133041748416E+04 0.83634E-01 -0.49768E-01 1568 0.183E-01 0.480E-01 DAV: 5 -0.133041689366E+04 0.59051E-03 -0.87623E-03 1664 0.132E-01 0.338E-01 DAV: 6 -0.133041622483E+04 0.66883E-03 -0.14887E-03 1632 0.589E-02 0.978E-02 DAV: 7 -0.133041623271E+04 -0.78787E-05 -0.44006E-04 1504 0.276E-02 130 F= -.13489909E+04 E0= -.13489571E+04 d E =-.123430E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133043719520E+04 -0.20970E-01 -0.35432E+01 1408 0.784E+00 0.215E+00 DAV: 2 -0.133051383754E+04 -0.76642E-01 -0.86331E-01 1664 0.117E+00 0.848E-01 DAV: 3 -0.133057520493E+04 -0.61367E-01 -0.66347E-01 1696 0.266E-01 0.277E+00 DAV: 4 -0.133050967825E+04 0.65527E-01 -0.48147E-01 1568 0.144E-01 0.581E-01 DAV: 5 -0.133050729214E+04 0.23861E-02 -0.11014E-02 1696 0.155E-01 0.156E-01 DAV: 6 -0.133050733687E+04 -0.44733E-04 -0.21375E-03 1760 0.644E-02 0.787E-02 DAV: 7 -0.133050735931E+04 -0.22433E-04 -0.59078E-04 1600 0.319E-02 131 F= -.13490830E+04 E0= -.13490493E+04 d E =-.920389E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133048293791E+04 0.24399E-01 -0.25190E+01 1408 0.661E+00 0.183E+00 DAV: 2 -0.133053994580E+04 -0.57008E-01 -0.61700E-01 1696 0.989E-01 0.905E-01 DAV: 3 -0.133065845615E+04 -0.11851E+00 -0.13185E+00 1664 0.262E-01 0.315E+00 DAV: 4 -0.133053323700E+04 0.12522E+00 -0.42924E-01 1600 0.175E-01 0.348E-01 DAV: 5 -0.133053270551E+04 0.53149E-03 -0.92627E-03 1664 0.134E-01 0.201E-01 DAV: 6 -0.133053260075E+04 0.10476E-03 -0.14504E-03 1728 0.560E-02 0.821E-02 DAV: 7 -0.133053263492E+04 -0.34174E-04 -0.42089E-04 1504 0.275E-02 132 F= -.13491090E+04 E0= -.13490757E+04 d E =-.118114E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133051648428E+04 0.16116E-01 -0.44668E+01 1408 0.872E+00 0.213E+00 DAV: 2 -0.133062262152E+04 -0.10614E+00 -0.11094E+00 1664 0.131E+00 0.131E+00 DAV: 3 -0.133078950912E+04 -0.16689E+00 -0.20782E+00 1664 0.343E-01 0.388E+00 DAV: 4 -0.133060864164E+04 0.18087E+00 -0.48246E-01 1536 0.226E-01 0.478E-01 DAV: 5 -0.133060789232E+04 0.74932E-03 -0.15432E-02 1696 0.171E-01 0.281E-01 DAV: 6 -0.133060776557E+04 0.12676E-03 -0.28070E-03 1728 0.788E-02 0.135E-01 DAV: 7 -0.133060780722E+04 -0.41656E-04 -0.57615E-04 1600 0.315E-02 133 F= -.13491842E+04 E0= -.13491512E+04 d E =-.751323E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133059247531E+04 0.15290E-01 -0.13506E+01 1408 0.479E+00 0.118E+00 DAV: 2 -0.133063112274E+04 -0.38647E-01 -0.33659E-01 1632 0.725E-01 0.114E+00 DAV: 3 -0.133069389471E+04 -0.62772E-01 -0.98738E-01 1632 0.202E-01 0.281E+00 DAV: 4 -0.133062025797E+04 0.73637E-01 -0.37342E-01 1568 0.141E-01 0.269E-01 DAV: 5 -0.133062000463E+04 0.25334E-03 -0.65763E-03 1632 0.113E-01 0.111E-01 DAV: 6 -0.133062000204E+04 0.25937E-05 -0.11552E-03 1760 0.494E-02 0.646E-02 DAV: 7 -0.133062002307E+04 -0.21030E-04 -0.26318E-04 1376 0.210E-02 134 F= -.13491963E+04 E0= -.13491625E+04 d E =-.872696E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133061126173E+04 0.87403E-02 -0.49155E+01 1408 0.912E+00 0.195E+00 DAV: 2 -0.133073321553E+04 -0.12195E+00 -0.12480E+00 1696 0.140E+00 0.156E+00 DAV: 3 -0.133087608188E+04 -0.14287E+00 -0.21475E+00 1632 0.353E-01 0.360E+00 DAV: 4 -0.133071324075E+04 0.16284E+00 -0.48099E-01 1568 0.227E-01 0.528E-01 DAV: 5 -0.133071223265E+04 0.10081E-02 -0.20046E-02 1664 0.191E-01 0.290E-01 DAV: 6 -0.133071205596E+04 0.17669E-03 -0.34110E-03 1792 0.879E-02 0.113E-01 DAV: 7 -0.133071221733E+04 -0.16137E-03 -0.77767E-04 1568 0.366E-02 0.820E-02 DAV: 8 -0.133071222160E+04 -0.42716E-05 -0.76116E-05 1088 0.152E-02 135 F= -.13492887E+04 E0= -.13492546E+04 d E =-.924367E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133067838321E+04 0.33834E-01 -0.31140E+01 1408 0.726E+00 0.154E+00 DAV: 2 -0.133075083911E+04 -0.72456E-01 -0.78816E-01 1696 0.111E+00 0.105E+00 DAV: 3 -0.133084894446E+04 -0.98105E-01 -0.12078E+00 1632 0.271E-01 0.302E+00 DAV: 4 -0.133074298776E+04 0.10596E+00 -0.44234E-01 1536 0.170E-01 0.437E-01 DAV: 5 -0.133074208861E+04 0.89915E-03 -0.11223E-02 1632 0.145E-01 0.197E-01 DAV: 6 -0.133074212224E+04 -0.33631E-04 -0.20211E-03 1792 0.666E-02 0.840E-02 DAV: 7 -0.133074221597E+04 -0.93736E-04 -0.42225E-04 1504 0.272E-02 136 F= -.13493186E+04 E0= -.13492850E+04 d E =-.122310E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133072138374E+04 0.20738E-01 -0.51381E+01 1408 0.942E+00 0.258E+00 DAV: 2 -0.133083953802E+04 -0.11815E+00 -0.12896E+00 1696 0.144E+00 0.142E+00 DAV: 3 -0.133098662042E+04 -0.14708E+00 -0.99102E-02 1664 0.385E-01 0.236E+00 DAV: 4 -0.133083454083E+04 0.15208E+00 -0.46335E-02 1536 0.234E-01 0.123E+00 DAV: 5 -0.133094294805E+04 -0.10841E+00 -0.15927E+00 1568 0.271E-01 0.308E+00 DAV: 6 -0.133082324235E+04 0.11971E+00 -0.50228E-01 1600 0.209E-01 0.284E-01 DAV: 7 -0.133082312991E+04 0.11244E-03 -0.29364E-03 1632 0.681E-02 0.210E-01 DAV: 8 -0.133082292766E+04 0.20225E-03 -0.67206E-04 1664 0.336E-02 0.502E-02 DAV: 9 -0.133082312259E+04 -0.19492E-03 -0.71183E-05 1088 0.160E-02 0.164E-01 DAV: 10 -0.133082302922E+04 0.93368E-04 -0.99044E-05 1056 0.156E-02 137 F= -.13493971E+04 E0= -.13493637E+04 d E =-.785229E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133082164570E+04 0.14769E-02 -0.22589E+00 1408 0.198E+00 0.537E-01 DAV: 2 -0.133082708054E+04 -0.54348E-02 -0.55947E-02 1632 0.302E-01 0.370E-01 DAV: 3 -0.133084256977E+04 -0.15489E-01 -0.55475E-03 1664 0.875E-02 0.133E+00 DAV: 4 -0.133082615407E+04 0.16416E-01 -0.30300E-03 1440 0.616E-02 0.130E-01 DAV: 5 -0.133082615506E+04 -0.99634E-06 -0.12514E-03 1696 0.488E-02 0.991E-02 DAV: 6 -0.133082612267E+04 0.32394E-04 -0.15798E-04 1152 0.203E-02 138 F= -.13493997E+04 E0= -.13493660E+04 d E =-.811019E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133078416614E+04 0.41989E-01 -0.48273E+01 1408 0.912E+00 0.234E+00 DAV: 2 -0.133090114342E+04 -0.11698E+00 -0.12306E+00 1728 0.140E+00 0.161E+00 DAV: 3 -0.133104599697E+04 -0.14485E+00 -0.15944E-01 1696 0.367E-01 0.238E+00 DAV: 4 -0.133089639645E+04 0.14960E+00 -0.45280E-02 1536 0.247E-01 0.136E+00 DAV: 5 -0.133098775403E+04 -0.91358E-01 -0.15299E+00 1664 0.279E-01 0.298E+00 DAV: 6 -0.133088183016E+04 0.10592E+00 -0.51489E-01 1568 0.191E-01 0.360E-01 DAV: 7 -0.133088124162E+04 0.58853E-03 -0.27088E-03 1600 0.623E-02 0.147E-01 DAV: 8 -0.133088125258E+04 -0.10953E-04 -0.42750E-04 1728 0.275E-02 139 F= -.13494530E+04 E0= -.13494182E+04 d E =-.532961E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133088100267E+04 0.23896E-03 -0.40382E-01 1472 0.835E-01 0.256E-01 DAV: 2 -0.133089063486E+04 -0.96322E-02 -0.12241E-02 1664 0.141E-01 0.104E+00 DAV: 3 -0.133088201754E+04 0.86173E-02 -0.22703E-03 1568 0.518E-02 0.190E-01 DAV: 4 -0.133088180558E+04 0.21197E-03 -0.24790E-04 1152 0.226E-02 0.588E-02 DAV: 5 -0.133088184212E+04 -0.36548E-04 -0.13865E-04 1088 0.202E-02 140 F= -.13494534E+04 E0= -.13494193E+04 d E =-.537106E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133087452177E+04 0.72838E-02 -0.26838E+01 1408 0.673E+00 0.174E+00 DAV: 2 -0.133093542942E+04 -0.60908E-01 -0.68170E-01 1664 0.103E+00 0.698E-01 DAV: 3 -0.133093356136E+04 0.18681E-02 -0.16931E-02 1760 0.193E-01 0.694E-01 DAV: 4 -0.133094761467E+04 -0.14053E-01 -0.74444E-03 1568 0.103E-01 0.138E+00 DAV: 5 -0.133093106558E+04 0.16549E-01 -0.74415E-03 1600 0.125E-01 0.284E-01 DAV: 6 -0.133093071761E+04 0.34796E-03 -0.16787E-03 1728 0.574E-02 0.826E-02 DAV: 7 -0.133093072902E+04 -0.11407E-04 -0.35368E-04 1600 0.259E-02 141 F= -.13495017E+04 E0= -.13494681E+04 d E =-.482872E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133092698679E+04 0.37308E-02 -0.39062E+00 1408 0.257E+00 0.675E-01 DAV: 2 -0.133093733003E+04 -0.10343E-01 -0.99373E-02 1632 0.395E-01 0.525E-01 DAV: 3 -0.133096564431E+04 -0.28314E-01 -0.30840E-01 1664 0.108E-01 0.210E+00 DAV: 4 -0.133093529840E+04 0.30346E-01 -0.21172E-01 1568 0.816E-02 0.159E-01 DAV: 5 -0.133093524330E+04 0.55104E-04 -0.17245E-03 1600 0.569E-02 0.553E-02 DAV: 6 -0.133093526564E+04 -0.22335E-04 -0.25791E-04 1504 0.231E-02 142 F= -.13495060E+04 E0= -.13494722E+04 d E =-.525960E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133093706436E+04 -0.18211E-02 -0.22219E+01 1408 0.611E+00 0.149E+00 DAV: 2 -0.133099153746E+04 -0.54473E-01 -0.56408E-01 1728 0.941E-01 0.113E+00 DAV: 3 -0.133107003494E+04 -0.78497E-01 -0.41476E-02 1632 0.246E-01 0.214E+00 DAV: 4 -0.133098494855E+04 0.85086E-01 -0.21510E-02 1536 0.165E-01 0.627E-01 DAV: 5 -0.133099996502E+04 -0.15016E-01 -0.14806E-01 1600 0.139E-01 0.165E+00 DAV: 6 -0.133098715417E+04 0.12811E-01 -0.16623E-01 1536 0.107E-01 0.754E-01 DAV: 7 -0.133098277414E+04 0.43800E-02 -0.10925E-03 1536 0.451E-02 0.466E-02 DAV: 8 -0.133098283044E+04 -0.56307E-04 -0.17524E-04 1248 0.168E-02 143 F= -.13495548E+04 E0= -.13495206E+04 d E =-.488175E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133096668111E+04 0.16093E-01 -0.13097E+01 1408 0.469E+00 0.115E+00 DAV: 2 -0.133099703678E+04 -0.30356E-01 -0.33173E-01 1728 0.722E-01 0.692E-01 DAV: 3 -0.133104152678E+04 -0.44490E-01 -0.20144E-02 1664 0.180E-01 0.189E+00 DAV: 4 -0.133099384912E+04 0.47678E-01 -0.11563E-02 1568 0.120E-01 0.280E-01 DAV: 5 -0.133099406294E+04 -0.21382E-03 -0.42027E-03 1632 0.867E-02 0.287E-01 DAV: 6 -0.133099385419E+04 0.20875E-03 -0.75583E-04 1664 0.473E-02 0.171E-01 DAV: 7 -0.133099386064E+04 -0.64519E-05 -0.30725E-04 1440 0.239E-02 144 F= -.13495669E+04 E0= -.13495320E+04 d E =-.608573E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133098907082E+04 0.47834E-02 -0.23228E+01 1408 0.626E+00 0.137E+00 DAV: 2 -0.133105438964E+04 -0.65319E-01 -0.65142E-01 1664 0.952E-01 0.166E+00 DAV: 3 -0.133110173010E+04 -0.47340E-01 -0.31388E-01 1696 0.229E-01 0.206E+00 DAV: 4 -0.133103904019E+04 0.62690E-01 -0.14832E-02 1536 0.158E-01 0.699E-01 DAV: 5 -0.133105115153E+04 -0.12111E-01 -0.11952E-01 1632 0.163E-01 0.154E+00 DAV: 6 -0.133103879133E+04 0.12360E-01 -0.11384E-01 1568 0.956E-02 0.590E-01 DAV: 7 -0.133103624728E+04 0.25440E-02 -0.81075E-04 1568 0.404E-02 0.518E-02 DAV: 8 -0.133103629635E+04 -0.49065E-04 -0.12916E-04 1216 0.155E-02 145 F= -.13496114E+04 E0= -.13495772E+04 d E =-.445284E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133101616589E+04 0.20081E-01 -0.14275E+01 1408 0.490E+00 0.107E+00 DAV: 2 -0.133104809334E+04 -0.31927E-01 -0.35286E-01 1664 0.744E-01 0.622E-01 DAV: 3 -0.133107756373E+04 -0.29470E-01 -0.15768E-02 1664 0.161E-01 0.171E+00 DAV: 4 -0.133104558093E+04 0.31983E-01 -0.79418E-03 1568 0.101E-01 0.315E-01 DAV: 5 -0.133104517471E+04 0.40622E-03 -0.44346E-03 1632 0.965E-02 0.107E-01 DAV: 6 -0.133104524283E+04 -0.68122E-04 -0.78602E-04 1728 0.415E-02 146 F= -.13496220E+04 E0= -.13495882E+04 d E =-.551336E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133104330735E+04 0.18674E-02 -0.25071E+01 1472 0.655E+00 0.162E+00 DAV: 2 -0.133110052867E+04 -0.57221E-01 -0.62945E-01 1664 0.101E+00 0.848E-01 DAV: 3 -0.133116430078E+04 -0.63772E-01 -0.33540E-02 1664 0.230E-01 0.209E+00 DAV: 4 -0.133109537848E+04 0.68922E-01 -0.17496E-02 1568 0.149E-01 0.395E-01 DAV: 5 -0.133109667246E+04 -0.12940E-02 -0.84371E-03 1696 0.128E-01 0.567E-01 DAV: 6 -0.133109685405E+04 -0.18159E-03 -0.23002E-03 1600 0.685E-02 0.527E-01 DAV: 7 -0.133109570470E+04 0.11494E-02 -0.10049E-03 1536 0.433E-02 0.363E-01 DAV: 8 -0.133109490196E+04 0.80274E-03 -0.18313E-04 1024 0.181E-02 0.426E-02 DAV: 9 -0.133109492362E+04 -0.21663E-04 -0.38705E-05 1120 0.967E-03 147 F= -.13496704E+04 E0= -.13496362E+04 d E =-.484002E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133106330762E+04 0.31594E-01 -0.24502E+01 1408 0.648E+00 0.160E+00 DAV: 2 -0.133111753618E+04 -0.54229E-01 -0.61296E-01 1664 0.998E-01 0.693E-01 DAV: 3 -0.133113112518E+04 -0.13589E-01 -0.18067E-02 1728 0.190E-01 0.142E+00 DAV: 4 -0.133111604594E+04 0.15079E-01 -0.68176E-03 1568 0.949E-02 0.672E-01 DAV: 5 -0.133111352423E+04 0.25217E-02 -0.59899E-03 1664 0.115E-01 0.250E-01 DAV: 6 -0.133111330270E+04 0.22153E-03 -0.12297E-03 1760 0.545E-02 0.677E-02 DAV: 7 -0.133111333881E+04 -0.36109E-04 -0.26775E-04 1504 0.221E-02 148 F= -.13496876E+04 E0= -.13496536E+04 d E =-.655348E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133112490038E+04 -0.11598E-01 -0.13428E+01 1408 0.477E+00 0.113E+00 DAV: 2 -0.133115437664E+04 -0.29476E-01 -0.33611E-01 1696 0.733E-01 0.508E-01 DAV: 3 -0.133115304364E+04 0.13330E-02 -0.77596E-03 1856 0.129E-01 0.376E-01 DAV: 4 -0.133117022427E+04 -0.17181E-01 -0.13109E-01 1568 0.865E-02 0.167E+00 DAV: 5 -0.133115243054E+04 0.17794E-01 -0.11300E-01 1632 0.819E-02 0.117E-01 DAV: 6 -0.133115243268E+04 -0.21428E-05 -0.68140E-04 1664 0.412E-02 149 F= -.13497256E+04 E0= -.13496915E+04 d E =-.380131E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133108052122E+04 0.71909E-01 -0.50862E+01 1408 0.928E+00 0.222E+00 DAV: 2 -0.133119555663E+04 -0.11504E+00 -0.12847E+00 1696 0.143E+00 0.117E+00 DAV: 3 -0.133128052255E+04 -0.84966E-01 -0.56437E-02 1664 0.308E-01 0.227E+00 DAV: 4 -0.133118599286E+04 0.94530E-01 -0.28917E-02 1568 0.188E-01 0.553E-01 DAV: 5 -0.133118707643E+04 -0.10836E-02 -0.14451E-02 1696 0.168E-01 0.628E-01 DAV: 6 -0.133118929722E+04 -0.22208E-02 -0.39381E-03 1568 0.922E-02 0.759E-01 DAV: 7 -0.133118670199E+04 0.25952E-02 -0.19980E-03 1536 0.596E-02 0.518E-01 DAV: 8 -0.133118510255E+04 0.15994E-02 -0.35661E-04 1088 0.254E-02 0.715E-02 DAV: 9 -0.133118514870E+04 -0.46150E-04 -0.73104E-05 1216 0.137E-02 150 F= -.13497561E+04 E0= -.13497216E+04 d E =-.685370E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133119547620E+04 -0.10374E-01 -0.13958E+01 1408 0.487E+00 0.116E+00 DAV: 2 -0.133122875851E+04 -0.33282E-01 -0.34288E-01 1664 0.738E-01 0.837E-01 DAV: 3 -0.133129921076E+04 -0.70452E-01 -0.85508E-01 1664 0.183E-01 0.279E+00 DAV: 4 -0.133122363676E+04 0.75574E-01 -0.35362E-01 1600 0.130E-01 0.286E-01 DAV: 5 -0.133122343665E+04 0.20011E-03 -0.58487E-03 1696 0.109E-01 0.150E-01 DAV: 6 -0.133122341144E+04 0.25217E-04 -0.92745E-04 1728 0.438E-02 151 F= -.13497937E+04 E0= -.13497595E+04 d E =-.375679E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133119167561E+04 0.31761E-01 -0.26121E+01 1408 0.666E+00 0.160E+00 DAV: 2 -0.133124869805E+04 -0.57022E-01 -0.64488E-01 1664 0.101E+00 0.733E-01 DAV: 3 -0.133127322623E+04 -0.24528E-01 -0.26405E-01 1696 0.196E-01 0.207E+00 DAV: 4 -0.133124627339E+04 0.26953E-01 -0.26294E-01 1600 0.102E-01 0.582E-01 DAV: 5 -0.133124408410E+04 0.21893E-02 -0.72730E-03 1728 0.134E-01 0.140E-01 DAV: 6 -0.133124415602E+04 -0.71922E-04 -0.14789E-03 1632 0.541E-02 0.717E-02 DAV: 7 -0.133124417301E+04 -0.16988E-04 -0.44612E-04 1600 0.279E-02 152 F= -.13498134E+04 E0= -.13497794E+04 d E =-.572747E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133124752643E+04 -0.33704E-02 -0.18317E+01 1408 0.563E+00 0.123E+00 DAV: 2 -0.133128695310E+04 -0.39427E-01 -0.45180E-01 1664 0.865E-01 0.646E-01 DAV: 3 -0.133128504041E+04 0.19127E-02 -0.10557E-02 1792 0.153E-01 0.432E-01 DAV: 4 -0.133131605719E+04 -0.31017E-01 -0.28497E-01 1600 0.109E-01 0.215E+00 DAV: 5 -0.133128419920E+04 0.31858E-01 -0.22637E-01 1632 0.990E-02 0.144E-01 DAV: 6 -0.133128419461E+04 0.45901E-05 -0.10944E-03 1696 0.512E-02 0.565E-02 DAV: 7 -0.133128424125E+04 -0.46640E-04 -0.31178E-04 1536 0.237E-02 153 F= -.13498521E+04 E0= -.13498181E+04 d E =-.387432E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133126933159E+04 0.14863E-01 -0.13145E+01 1408 0.477E+00 0.105E+00 DAV: 2 -0.133129762084E+04 -0.28289E-01 -0.32463E-01 1664 0.733E-01 0.551E-01 DAV: 3 -0.133129843038E+04 -0.80954E-03 -0.80299E-03 1728 0.131E-01 0.691E-01 DAV: 4 -0.133130237068E+04 -0.39403E-02 -0.34530E-03 1600 0.686E-02 0.953E-01 DAV: 5 -0.133129570235E+04 0.66683E-02 -0.36451E-03 1568 0.836E-02 0.169E-01 DAV: 6 -0.133129560363E+04 0.98719E-04 -0.77707E-04 1696 0.439E-02 154 F= -.13498622E+04 E0= -.13498283E+04 d E =-.488766E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133128482930E+04 0.10873E-01 -0.23817E+01 1408 0.645E+00 0.144E+00 DAV: 2 -0.133133743730E+04 -0.52608E-01 -0.57099E-01 1664 0.965E-01 0.833E-01 DAV: 3 -0.133139607716E+04 -0.58640E-01 -0.28920E-02 1600 0.220E-01 0.207E+00 DAV: 4 -0.133133255218E+04 0.63525E-01 -0.16200E-02 1536 0.140E-01 0.380E-01 DAV: 5 -0.133133377826E+04 -0.12261E-02 -0.90521E-03 1664 0.133E-01 0.561E-01 DAV: 6 -0.133133290541E+04 0.87285E-03 -0.20404E-03 1600 0.668E-02 0.374E-01 DAV: 7 -0.133133246262E+04 0.44278E-03 -0.80126E-04 1472 0.378E-02 0.288E-01 DAV: 8 -0.133133201940E+04 0.44322E-03 -0.17246E-04 1056 0.181E-02 0.985E-02 DAV: 9 -0.133133197120E+04 0.48206E-04 -0.36439E-05 1056 0.102E-02 155 F= -.13498981E+04 E0= -.13498639E+04 d E =-.359008E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133131858965E+04 0.13430E-01 -0.10745E+01 1408 0.433E+00 0.962E-01 DAV: 2 -0.133134138080E+04 -0.22791E-01 -0.25662E-01 1632 0.648E-01 0.442E-01 DAV: 3 -0.133134194673E+04 -0.56593E-03 -0.59010E-03 1760 0.115E-01 0.604E-01 DAV: 4 -0.133134327762E+04 -0.13309E-02 -0.22429E-03 1600 0.555E-02 0.717E-01 DAV: 5 -0.133133970892E+04 0.35687E-02 -0.32484E-03 1568 0.861E-02 0.128E-01 DAV: 6 -0.133133966327E+04 0.45653E-04 -0.68434E-04 1728 0.372E-02 156 F= -.13499054E+04 E0= -.13498715E+04 d E =-.431939E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133132206875E+04 0.17640E-01 -0.26226E+01 1408 0.673E+00 0.169E+00 DAV: 2 -0.133137853016E+04 -0.56461E-01 -0.63847E-01 1632 0.101E+00 0.758E-01 DAV: 3 -0.133137526870E+04 0.32615E-02 -0.14023E-02 1760 0.182E-01 0.494E-01 DAV: 4 -0.133140947336E+04 -0.34205E-01 -0.12970E-02 1568 0.148E-01 0.178E+00 DAV: 5 -0.133137430208E+04 0.35171E-01 -0.93936E-03 1536 0.116E-01 0.273E-01 DAV: 6 -0.133137389489E+04 0.40719E-03 -0.16111E-03 1664 0.537E-02 0.788E-02 DAV: 7 -0.133137391601E+04 -0.21120E-04 -0.63671E-04 1600 0.340E-02 157 F= -.13499388E+04 E0= -.13499053E+04 d E =-.333576E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133137198818E+04 0.19067E-02 -0.14305E+00 1408 0.157E+00 0.405E-01 DAV: 2 -0.133137842312E+04 -0.64349E-02 -0.35049E-02 1600 0.237E-01 0.701E-01 DAV: 3 -0.133137949070E+04 -0.10676E-02 -0.31428E-03 1696 0.621E-02 0.855E-01 DAV: 4 -0.133137489866E+04 0.45920E-02 -0.10133E-03 1440 0.431E-02 0.129E-01 DAV: 5 -0.133137485208E+04 0.46580E-04 -0.75175E-04 1632 0.382E-02 158 F= -.13499395E+04 E0= -.13499052E+04 d E =-.340695E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133136321945E+04 0.11679E-01 -0.19553E+01 1408 0.575E+00 0.140E+00 DAV: 2 -0.133140558836E+04 -0.42369E-01 -0.47732E-01 1600 0.861E-01 0.684E-01 DAV: 3 -0.133142846384E+04 -0.22875E-01 -0.22911E-01 1664 0.179E-01 0.199E+00 DAV: 4 -0.133140445817E+04 0.24006E-01 -0.24931E-01 1568 0.978E-02 0.608E-01 DAV: 5 -0.133140236144E+04 0.20967E-02 -0.48453E-03 1568 0.101E-01 0.142E-01 DAV: 6 -0.133140234912E+04 0.12318E-04 -0.10014E-03 1664 0.478E-02 0.579E-02 DAV: 7 -0.133140238164E+04 -0.32512E-04 -0.22618E-04 1440 0.196E-02 159 F= -.13499654E+04 E0= -.13499314E+04 d E =-.258524E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133140128562E+04 0.10635E-02 -0.22215E+00 1408 0.194E+00 0.481E-01 DAV: 2 -0.133140606887E+04 -0.47832E-02 -0.53791E-02 1600 0.290E-01 0.223E-01 DAV: 3 -0.133140811983E+04 -0.20510E-02 -0.15957E-03 1664 0.585E-02 0.617E-01 DAV: 4 -0.133140602543E+04 0.20944E-02 -0.71792E-04 1216 0.311E-02 0.222E-01 DAV: 5 -0.133140577045E+04 0.25498E-03 -0.58063E-04 1472 0.349E-02 0.454E-02 DAV: 6 -0.133140577307E+04 -0.26187E-05 -0.10574E-04 1216 0.167E-02 160 F= -.13499682E+04 E0= -.13499342E+04 d E =-.286647E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133140446789E+04 0.13026E-02 -0.20316E+01 1408 0.591E+00 0.157E+00 DAV: 2 -0.133145714739E+04 -0.52679E-01 -0.50329E-01 1632 0.882E-01 0.141E+00 DAV: 3 -0.133153941750E+04 -0.82270E-01 -0.82697E-02 1600 0.251E-01 0.221E+00 DAV: 4 -0.133144888019E+04 0.90537E-01 -0.22062E-02 1504 0.166E-01 0.854E-01 DAV: 5 -0.133147211945E+04 -0.23239E-01 -0.35646E-01 1568 0.162E-01 0.205E+00 DAV: 6 -0.133144518154E+04 0.26938E-01 -0.26785E-01 1568 0.107E-01 0.434E-01 DAV: 7 -0.133144388949E+04 0.12921E-02 -0.73705E-04 1504 0.378E-02 0.954E-02 DAV: 8 -0.133144385010E+04 0.39392E-04 -0.25002E-04 1504 0.206E-02 161 F= -.13500050E+04 E0= -.13499709E+04 d E =-.368543E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133143941417E+04 0.44753E-02 -0.46593E+00 1408 0.283E+00 0.753E-01 DAV: 2 -0.133144930121E+04 -0.98870E-02 -0.11239E-01 1632 0.421E-01 0.324E-01 DAV: 3 -0.133145363925E+04 -0.43380E-02 -0.37055E-03 1664 0.880E-02 0.831E-01 DAV: 4 -0.133144907885E+04 0.45604E-02 -0.17722E-03 1536 0.468E-02 0.325E-01 DAV: 5 -0.133144845875E+04 0.62010E-03 -0.14346E-03 1600 0.580E-02 0.674E-02 DAV: 6 -0.133144845447E+04 0.42773E-05 -0.27724E-04 1600 0.248E-02 162 F= -.13500090E+04 E0= -.13499750E+04 d E =-.408425E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133144206882E+04 0.63899E-02 -0.16745E+01 1408 0.532E+00 0.128E+00 DAV: 2 -0.133148891323E+04 -0.46844E-01 -0.44472E-01 1600 0.794E-01 0.148E+00 DAV: 3 -0.133153376750E+04 -0.44854E-01 -0.15395E-01 1600 0.210E-01 0.203E+00 DAV: 4 -0.133147677483E+04 0.56993E-01 -0.13584E-02 1536 0.139E-01 0.584E-01 DAV: 5 -0.133148264614E+04 -0.58713E-02 -0.94859E-03 1568 0.125E-01 0.112E+00 DAV: 6 -0.133147666973E+04 0.59764E-02 -0.32039E-03 1536 0.778E-02 0.495E-01 DAV: 7 -0.133147492846E+04 0.17413E-02 -0.66429E-04 1504 0.358E-02 0.418E-02 DAV: 8 -0.133147493980E+04 -0.11335E-04 -0.78080E-05 1152 0.123E-02 163 F= -.13500344E+04 E0= -.13500006E+04 d E =-.254029E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133146476991E+04 0.10159E-01 -0.81189E+00 1408 0.370E+00 0.888E-01 DAV: 2 -0.133148606986E+04 -0.21300E-01 -0.19780E-01 1600 0.553E-01 0.924E-01 DAV: 3 -0.133151563106E+04 -0.29561E-01 -0.15080E-02 1600 0.147E-01 0.176E+00 DAV: 4 -0.133148099137E+04 0.34640E-01 -0.75023E-03 1536 0.991E-02 0.297E-01 DAV: 5 -0.133148175811E+04 -0.76674E-03 -0.42081E-03 1632 0.846E-02 0.427E-01 DAV: 6 -0.133148082724E+04 0.93087E-03 -0.81283E-04 1568 0.444E-02 0.166E-01 DAV: 7 -0.133148074637E+04 0.80876E-04 -0.26299E-04 1312 0.216E-02 164 F= -.13500395E+04 E0= -.13500047E+04 d E =-.304413E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133147404892E+04 0.67783E-02 -0.17864E+01 1408 0.545E+00 0.131E+00 DAV: 2 -0.133152065203E+04 -0.46603E-01 -0.45074E-01 1600 0.827E-01 0.124E+00 DAV: 3 -0.133157933843E+04 -0.58686E-01 -0.31712E-02 1600 0.210E-01 0.210E+00 DAV: 4 -0.133151248713E+04 0.66851E-01 -0.16205E-02 1504 0.151E-01 0.645E-01 DAV: 5 -0.133151862712E+04 -0.61400E-02 -0.87232E-03 1600 0.121E-01 0.118E+00 DAV: 6 -0.133151323011E+04 0.53970E-02 -0.39762E-03 1568 0.808E-02 0.658E-01 DAV: 7 -0.133151006347E+04 0.31666E-02 -0.59895E-04 1344 0.352E-02 0.743E-02 DAV: 8 -0.133151005407E+04 0.94008E-05 -0.11919E-04 1216 0.141E-02 165 F= -.13500682E+04 E0= -.13500340E+04 d E =-.287742E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133150460272E+04 0.54608E-02 -0.57634E+00 1408 0.310E+00 0.744E-01 DAV: 2 -0.133151738357E+04 -0.12781E-01 -0.14476E-01 1600 0.470E-01 0.379E-01 DAV: 3 -0.133152817933E+04 -0.10796E-01 -0.55586E-03 1632 0.103E-01 0.120E+00 DAV: 4 -0.133151648273E+04 0.11697E-01 -0.30813E-03 1504 0.617E-02 0.230E-01 DAV: 5 -0.133151620515E+04 0.27758E-03 -0.13014E-03 1600 0.519E-02 0.755E-02 DAV: 6 -0.133151621752E+04 -0.12370E-04 -0.25958E-04 1472 0.245E-02 166 F= -.13500741E+04 E0= -.13500401E+04 d E =-.346223E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133151004664E+04 0.61585E-02 -0.20164E+01 1408 0.583E+00 0.142E+00 DAV: 2 -0.133157534187E+04 -0.65295E-01 -0.66451E-01 1664 0.878E-01 0.189E+00 DAV: 3 -0.133161433390E+04 -0.38992E-01 -0.56533E-01 1600 0.226E-01 0.207E+00 DAV: 4 -0.133155426456E+04 0.60069E-01 -0.15800E-02 1504 0.161E-01 0.772E-01 DAV: 5 -0.133156006682E+04 -0.58023E-02 -0.20065E-02 1600 0.142E-01 0.126E+00 DAV: 6 -0.133155210081E+04 0.79660E-02 -0.12271E-02 1568 0.824E-02 0.497E-01 DAV: 7 -0.133155032115E+04 0.17797E-02 -0.65766E-04 1568 0.363E-02 0.379E-02 DAV: 8 -0.133155032275E+04 -0.15978E-05 -0.83387E-05 1184 0.128E-02 167 F= -.13501088E+04 E0= -.13500748E+04 d E =-.347532E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133154145054E+04 0.88706E-02 -0.85327E+00 1408 0.379E+00 0.919E-01 DAV: 2 -0.133156448448E+04 -0.23034E-01 -0.21093E-01 1600 0.568E-01 0.940E-01 DAV: 3 -0.133159764546E+04 -0.33161E-01 -0.16837E-02 1600 0.152E-01 0.181E+00 DAV: 4 -0.133155903514E+04 0.38610E-01 -0.80343E-03 1536 0.109E-01 0.357E-01 DAV: 5 -0.133156044738E+04 -0.14122E-02 -0.56363E-03 1664 0.102E-01 0.589E-01 DAV: 6 -0.133155854217E+04 0.19052E-02 -0.12541E-03 1568 0.497E-02 0.190E-01 DAV: 7 -0.133155845227E+04 0.89898E-04 -0.39231E-04 1312 0.258E-02 168 F= -.13501174E+04 E0= -.13500824E+04 d E =-.433228E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133155246768E+04 0.60745E-02 -0.18650E+01 1408 0.560E+00 0.122E+00 DAV: 2 -0.133163208908E+04 -0.79621E-01 -0.83706E-01 1568 0.867E-01 0.242E+00 DAV: 3 -0.133161743340E+04 0.14656E-01 -0.72300E-01 1568 0.218E-01 0.164E+00 DAV: 4 -0.133159044924E+04 0.26984E-01 -0.10482E-02 1536 0.147E-01 0.379E-01 DAV: 5 -0.133159058527E+04 -0.13603E-03 -0.75468E-03 1632 0.116E-01 0.357E-01 DAV: 6 -0.133159010230E+04 0.48298E-03 -0.13652E-03 1664 0.611E-02 0.180E-01 DAV: 7 -0.133158996225E+04 0.14005E-03 -0.26195E-04 1376 0.224E-02 0.771E-02 DAV: 8 -0.133158995113E+04 0.11117E-04 -0.36712E-05 1056 0.857E-03 169 F= -.13501499E+04 E0= -.13501163E+04 d E =-.325353E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133157973623E+04 0.10226E-01 -0.88700E+00 1408 0.386E+00 0.837E-01 DAV: 2 -0.133160855932E+04 -0.28823E-01 -0.23090E-01 1568 0.595E-01 0.131E+00 DAV: 3 -0.133161826758E+04 -0.97083E-02 -0.16404E-02 1600 0.147E-01 0.147E+00 DAV: 4 -0.133159787537E+04 0.20392E-01 -0.58149E-03 1568 0.102E-01 0.265E-01 DAV: 5 -0.133159794300E+04 -0.67630E-04 -0.37779E-03 1664 0.817E-02 0.254E-01 DAV: 6 -0.133159763394E+04 0.30907E-03 -0.64222E-04 1664 0.414E-02 0.864E-02 DAV: 7 -0.133159762135E+04 0.12583E-04 -0.12387E-04 1184 0.161E-02 170 F= -.13501583E+04 E0= -.13501241E+04 d E =-.409377E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133158858830E+04 0.90456E-02 -0.17230E+01 1408 0.532E+00 0.146E+00 DAV: 2 -0.133166253809E+04 -0.73950E-01 -0.76988E-01 1600 0.825E-01 0.231E+00 DAV: 3 -0.133167811692E+04 -0.15579E-01 -0.86600E-01 1568 0.231E-01 0.198E+00 DAV: 4 -0.133162722977E+04 0.50887E-01 -0.15279E-02 1536 0.162E-01 0.615E-01 DAV: 5 -0.133163016972E+04 -0.29399E-02 -0.88987E-03 1568 0.126E-01 0.912E-01 DAV: 6 -0.133162707424E+04 0.30955E-02 -0.28854E-03 1600 0.720E-02 0.517E-01 DAV: 7 -0.133162517134E+04 0.19029E-02 -0.60030E-04 1440 0.339E-02 0.471E-02 DAV: 8 -0.133162517205E+04 -0.71131E-06 -0.65480E-05 1120 0.122E-02 171 F= -.13501872E+04 E0= -.13501532E+04 d E =-.288167E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133160935996E+04 0.15811E-01 -0.10069E+01 1408 0.407E+00 0.111E+00 DAV: 2 -0.133164768923E+04 -0.38329E-01 -0.35296E-01 1632 0.629E-01 0.162E+00 DAV: 3 -0.133166926144E+04 -0.21572E-01 -0.24920E-01 1600 0.176E-01 0.180E+00 DAV: 4 -0.133163162170E+04 0.37640E-01 -0.97688E-03 1632 0.126E-01 0.426E-01 DAV: 5 -0.133163276685E+04 -0.11451E-02 -0.51433E-03 1632 0.957E-02 0.582E-01 DAV: 6 -0.133163136988E+04 0.13970E-02 -0.13418E-03 1568 0.509E-02 0.306E-01 DAV: 7 -0.133163078885E+04 0.58102E-03 -0.31107E-04 1344 0.238E-02 0.888E-02 DAV: 8 -0.133163074726E+04 0.41594E-04 -0.33720E-05 1056 0.931E-03 172 F= -.13501937E+04 E0= -.13501598E+04 d E =-.353697E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133162932760E+04 0.14613E-02 -0.10721E+01 1408 0.415E+00 0.930E-01 DAV: 2 -0.133167868757E+04 -0.49360E-01 -0.49231E-01 1664 0.650E-01 0.200E+00 DAV: 3 -0.133166894986E+04 0.97377E-02 -0.38791E-01 1600 0.161E-01 0.136E+00 DAV: 4 -0.133165227280E+04 0.16677E-01 -0.71426E-03 1568 0.113E-01 0.296E-01 DAV: 5 -0.133165231003E+04 -0.37239E-04 -0.42179E-03 1664 0.859E-02 0.243E-01 DAV: 6 -0.133165206468E+04 0.24535E-03 -0.65271E-04 1632 0.431E-02 0.808E-02 DAV: 7 -0.133165205137E+04 0.13309E-04 -0.11798E-04 1120 0.152E-02 173 F= -.13502164E+04 E0= -.13501824E+04 d E =-.227080E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133162357370E+04 0.28491E-01 -0.21339E+01 1408 0.585E+00 0.131E+00 DAV: 2 -0.133171643458E+04 -0.92861E-01 -0.98261E-01 1664 0.918E-01 0.252E+00 DAV: 3 -0.133170393150E+04 0.12503E-01 -0.84581E-01 1600 0.227E-01 0.176E+00 DAV: 4 -0.133166987249E+04 0.34059E-01 -0.14551E-02 1568 0.159E-01 0.450E-01 DAV: 5 -0.133167047592E+04 -0.60342E-03 -0.82931E-03 1664 0.120E-01 0.497E-01 DAV: 6 -0.133166955174E+04 0.92418E-03 -0.15624E-03 1632 0.654E-02 0.261E-01 DAV: 7 -0.133166918773E+04 0.36401E-03 -0.38960E-04 1440 0.257E-02 0.104E-01 DAV: 8 -0.133166912908E+04 0.58657E-04 -0.32568E-05 1088 0.912E-03 174 F= -.13502355E+04 E0= -.13502019E+04 d E =-.417883E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133147324989E+04 0.19594E+00 -0.85441E+01 1408 0.117E+01 0.261E+00 DAV: 2 -0.133178782671E+04 -0.31458E+00 -0.34574E+00 1632 0.183E+00 0.331E+00 DAV: 3 -0.133178677474E+04 0.10520E-02 -0.23447E+00 1568 0.460E-01 0.242E+00 DAV: 4 -0.133166559407E+04 0.12118E+00 -0.60149E-02 1568 0.308E-01 0.114E+00 DAV: 5 -0.133170827632E+04 -0.42682E-01 -0.67801E-01 1568 0.249E-01 0.258E+00 DAV: 6 -0.133167685852E+04 0.31418E-01 -0.78411E-01 1696 0.212E-01 0.139E+00 DAV: 7 -0.133165956505E+04 0.17293E-01 -0.38315E-03 1632 0.848E-02 0.508E-01 DAV: 8 -0.133165777118E+04 0.17939E-02 -0.89753E-04 1664 0.366E-02 0.919E-02 DAV: 9 -0.133165774031E+04 0.30867E-04 -0.81750E-05 1184 0.131E-02 175 F= -.13502282E+04 E0= -.13501947E+04 d E =-.344753E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133160174435E+04 0.56027E-01 -0.34105E+01 1408 0.740E+00 0.169E+00 DAV: 2 -0.133175455912E+04 -0.15281E+00 -0.93464E-01 1696 0.116E+00 0.223E+00 DAV: 3 -0.133172883559E+04 0.25724E-01 -0.10396E+00 1568 0.307E-01 0.267E+00 DAV: 4 -0.133168249946E+04 0.46336E-01 -0.64356E-01 1600 0.204E-01 0.116E+00 DAV: 5 -0.133168230022E+04 0.19924E-03 -0.15125E-02 1600 0.174E-01 0.129E+00 DAV: 6 -0.133167320154E+04 0.90987E-02 -0.46087E-03 1600 0.937E-02 0.344E-01 DAV: 7 -0.133167298661E+04 0.21493E-03 -0.84082E-04 1568 0.429E-02 0.284E-01 DAV: 8 -0.133167249075E+04 0.49586E-03 -0.16099E-04 1152 0.171E-02 0.271E-02 DAV: 9 -0.133167249688E+04 -0.61305E-05 -0.52184E-05 1120 0.103E-02 176 F= -.13502404E+04 E0= -.13502070E+04 d E =-.466477E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133166974952E+04 0.27412E-02 -0.14302E+01 1408 0.481E+00 0.111E+00 DAV: 2 -0.133174155539E+04 -0.71806E-01 -0.74089E-01 1664 0.753E-01 0.240E+00 DAV: 3 -0.133172137724E+04 0.20178E-01 -0.65279E-01 1568 0.191E-01 0.148E+00 DAV: 4 -0.133170024930E+04 0.21128E-01 -0.98835E-03 1504 0.134E-01 0.352E-01 DAV: 5 -0.133170024555E+04 0.37534E-05 -0.47657E-03 1664 0.916E-02 0.272E-01 DAV: 6 -0.133170000719E+04 0.23835E-03 -0.75327E-04 1600 0.419E-02 0.107E-01 DAV: 7 -0.133169996588E+04 0.41309E-04 -0.11995E-04 1152 0.155E-02 177 F= -.13502692E+04 E0= -.13502354E+04 d E =-.288124E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133153551031E+04 0.16450E+00 -0.89122E+01 1408 0.120E+01 0.277E+00 DAV: 2 -0.133191132294E+04 -0.37581E+00 -0.41135E+00 1664 0.188E+00 0.366E+00 DAV: 3 -0.133184906017E+04 0.62263E-01 -0.24226E+00 1600 0.479E-01 0.244E+00 DAV: 4 -0.133173307278E+04 0.11599E+00 -0.61766E-02 1536 0.319E-01 0.993E-01 DAV: 5 -0.133175610834E+04 -0.23036E-01 -0.33009E-01 1600 0.233E-01 0.206E+00 DAV: 6 -0.133175913042E+04 -0.30221E-02 -0.56329E-01 1664 0.190E-01 0.164E+00 DAV: 7 -0.133173055007E+04 0.28580E-01 -0.45151E-03 1600 0.886E-02 0.511E-01 DAV: 8 -0.133172871935E+04 0.18307E-02 -0.96774E-04 1632 0.395E-02 0.507E-02 DAV: 9 -0.133172875193E+04 -0.32579E-04 -0.12621E-04 1216 0.161E-02 178 F= -.13503015E+04 E0= -.13502675E+04 d E =-.611367E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133169958010E+04 0.29139E-01 -0.31522E+01 1408 0.716E+00 0.176E+00 DAV: 2 -0.133181975951E+04 -0.12018E+00 -0.12837E+00 1632 0.110E+00 0.264E+00 DAV: 3 -0.133184213426E+04 -0.22375E-01 -0.13364E+00 1568 0.296E-01 0.213E+00 DAV: 4 -0.133177082841E+04 0.71306E-01 -0.22674E-02 1536 0.202E-01 0.950E-01 DAV: 5 -0.133178434098E+04 -0.13513E-01 -0.21805E-01 1632 0.195E-01 0.176E+00 DAV: 6 -0.133176952817E+04 0.14813E-01 -0.20845E-01 1568 0.114E-01 0.795E-01 DAV: 7 -0.133176481177E+04 0.47164E-02 -0.12715E-03 1536 0.519E-02 0.201E-01 DAV: 8 -0.133176457011E+04 0.24166E-03 -0.26391E-04 1472 0.218E-02 0.330E-02 DAV: 9 -0.133176460370E+04 -0.33588E-04 -0.34078E-05 1120 0.103E-02 179 F= -.13503396E+04 E0= -.13503056E+04 d E =-.380957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133174934682E+04 0.15223E-01 -0.99621E+00 1408 0.403E+00 0.998E-01 DAV: 2 -0.133178887544E+04 -0.39529E-01 -0.36418E-01 1632 0.619E-01 0.169E+00 DAV: 3 -0.133179744989E+04 -0.85745E-02 -0.26179E-01 1568 0.164E-01 0.161E+00 DAV: 4 -0.133177052300E+04 0.26927E-01 -0.73215E-03 1536 0.115E-01 0.386E-01 DAV: 5 -0.133177105025E+04 -0.52725E-03 -0.53019E-03 1696 0.102E-01 0.468E-01 DAV: 6 -0.133177002536E+04 0.10249E-02 -0.11928E-03 1600 0.484E-02 0.214E-01 DAV: 7 -0.133176977082E+04 0.25454E-03 -0.25007E-04 1376 0.211E-02 0.755E-02 DAV: 8 -0.133176975286E+04 0.17962E-04 -0.30566E-05 1120 0.902E-03 180 F= -.13503460E+04 E0= -.13503125E+04 d E =-.445277E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133177213402E+04 -0.23632E-02 -0.88973E+00 1408 0.379E+00 0.969E-01 DAV: 2 -0.133182709586E+04 -0.54962E-01 -0.54686E-01 1632 0.594E-01 0.229E+00 DAV: 3 -0.133180404014E+04 0.23056E-01 -0.51170E-01 1568 0.160E-01 0.124E+00 DAV: 4 -0.133179062104E+04 0.13419E-01 -0.62069E-03 1536 0.110E-01 0.281E-01 DAV: 5 -0.133179067389E+04 -0.52854E-04 -0.35977E-03 1664 0.774E-02 0.193E-01 DAV: 6 -0.133179052749E+04 0.14641E-03 -0.56216E-04 1696 0.399E-02 0.763E-02 DAV: 7 -0.133179051933E+04 0.81585E-05 -0.86815E-05 1120 0.129E-02 181 F= -.13503684E+04 E0= -.13503348E+04 d E =-.223311E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133176031899E+04 0.30208E-01 -0.19656E+01 1408 0.563E+00 0.145E+00 DAV: 2 -0.133188276334E+04 -0.12244E+00 -0.12669E+00 1632 0.886E-01 0.294E+00 DAV: 3 -0.133183184688E+04 0.50916E-01 -0.10879E+00 1568 0.247E-01 0.168E+00 DAV: 4 -0.133180132678E+04 0.30520E-01 -0.14368E-02 1536 0.164E-01 0.417E-01 DAV: 5 -0.133180147718E+04 -0.15040E-03 -0.76663E-03 1696 0.112E-01 0.312E-01 DAV: 6 -0.133180125008E+04 0.22711E-03 -0.12717E-03 1728 0.603E-02 0.210E-01 DAV: 7 -0.133180101368E+04 0.23640E-03 -0.24803E-04 1280 0.205E-02 0.685E-02 DAV: 8 -0.133180101023E+04 0.34438E-05 -0.29632E-05 1120 0.824E-03 182 F= -.13503811E+04 E0= -.13503482E+04 d E =-.351252E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133180346442E+04 -0.24507E-02 -0.84029E+00 1408 0.365E+00 0.775E-01 DAV: 2 -0.133184017409E+04 -0.36710E-01 -0.32273E-01 1632 0.555E-01 0.173E+00 DAV: 3 -0.133183183961E+04 0.83345E-02 -0.19325E-01 1600 0.136E-01 0.112E+00 DAV: 4 -0.133182089552E+04 0.10944E-01 -0.44867E-03 1504 0.924E-02 0.241E-01 DAV: 5 -0.133182089475E+04 0.77026E-06 -0.31200E-03 1696 0.730E-02 0.192E-01 DAV: 6 -0.133182075242E+04 0.14233E-03 -0.56486E-04 1696 0.399E-02 0.789E-02 DAV: 7 -0.133182073388E+04 0.18544E-04 -0.91307E-05 1184 0.136E-02 183 F= -.13504016E+04 E0= -.13503683E+04 d E =-.204607E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133169743744E+04 0.12331E+00 -0.69357E+01 1408 0.105E+01 0.225E+00 DAV: 2 -0.133200626155E+04 -0.30882E+00 -0.33334E+00 1664 0.160E+00 0.344E+00 DAV: 3 -0.133191556664E+04 0.90695E-01 -0.17906E+00 1568 0.398E-01 0.215E+00 DAV: 4 -0.133184341840E+04 0.72148E-01 -0.43096E-02 1536 0.265E-01 0.638E-01 DAV: 5 -0.133184424046E+04 -0.82206E-03 -0.18113E-02 1632 0.177E-01 0.660E-01 DAV: 6 -0.133184627604E+04 -0.20356E-02 -0.44617E-03 1664 0.111E-01 0.740E-01 DAV: 7 -0.133184279091E+04 0.34851E-02 -0.20164E-03 1632 0.571E-02 0.352E-01 DAV: 8 -0.133184207162E+04 0.71928E-03 -0.26286E-04 1120 0.231E-02 0.117E-01 DAV: 9 -0.133184200150E+04 0.70121E-04 -0.61745E-05 1152 0.113E-02 184 F= -.13504248E+04 E0= -.13503916E+04 d E =-.436211E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133183907986E+04 0.29918E-02 -0.12440E+01 1408 0.447E+00 0.103E+00 DAV: 2 -0.133188570095E+04 -0.46621E-01 -0.42684E-01 1664 0.670E-01 0.180E+00 DAV: 3 -0.133189040015E+04 -0.46992E-02 -0.25806E-01 1600 0.167E-01 0.154E+00 DAV: 4 -0.133186491662E+04 0.25484E-01 -0.84988E-03 1536 0.117E-01 0.390E-01 DAV: 5 -0.133186553141E+04 -0.61479E-03 -0.55694E-03 1664 0.986E-02 0.480E-01 DAV: 6 -0.133186435553E+04 0.11759E-02 -0.11610E-03 1600 0.519E-02 0.188E-01 DAV: 7 -0.133186414580E+04 0.20973E-03 -0.26843E-04 1408 0.215E-02 0.549E-02 DAV: 8 -0.133186414155E+04 0.42486E-05 -0.24776E-05 1088 0.876E-03 185 F= -.13504480E+04 E0= -.13504153E+04 d E =-.232519E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133175961310E+04 0.10453E+00 -0.59259E+01 1408 0.976E+00 0.227E+00 DAV: 2 -0.133199679685E+04 -0.23718E+00 -0.25495E+00 1664 0.147E+00 0.324E+00 DAV: 3 -0.133197542343E+04 0.21373E-01 -0.20034E+00 1600 0.377E-01 0.218E+00 DAV: 4 -0.133188726343E+04 0.88160E-01 -0.39738E-02 1536 0.249E-01 0.103E+00 DAV: 5 -0.133191292890E+04 -0.25665E-01 -0.40582E-01 1600 0.217E-01 0.221E+00 DAV: 6 -0.133188969615E+04 0.23233E-01 -0.43958E-01 1664 0.161E-01 0.104E+00 DAV: 7 -0.133188056241E+04 0.91337E-02 -0.22382E-03 1600 0.659E-02 0.326E-01 DAV: 8 -0.133187989493E+04 0.66748E-03 -0.43131E-04 1664 0.253E-02 0.105E-01 DAV: 9 -0.133187984329E+04 0.51647E-04 -0.47389E-05 1088 0.116E-02 186 F= -.13504659E+04 E0= -.13504332E+04 d E =-.411156E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133186419252E+04 0.15702E-01 -0.18542E+01 1408 0.549E+00 0.119E+00 DAV: 2 -0.133195178009E+04 -0.87588E-01 -0.91180E-01 1664 0.843E-01 0.258E+00 DAV: 3 -0.133192622311E+04 0.25557E-01 -0.73282E-01 1600 0.207E-01 0.149E+00 DAV: 4 -0.133190345715E+04 0.22766E-01 -0.12372E-02 1536 0.145E-01 0.427E-01 DAV: 5 -0.133190335735E+04 0.99801E-04 -0.60642E-03 1664 0.100E-01 0.343E-01 DAV: 6 -0.133190290377E+04 0.45358E-03 -0.10233E-03 1600 0.552E-02 0.138E-01 DAV: 7 -0.133190281906E+04 0.84706E-04 -0.23619E-04 1440 0.205E-02 187 F= -.13504917E+04 E0= -.13504591E+04 d E =-.257957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133182182469E+04 0.81079E-01 -0.43770E+01 1408 0.842E+00 0.183E+00 DAV: 2 -0.133205202650E+04 -0.23020E+00 -0.24871E+00 1664 0.131E+00 0.332E+00 DAV: 3 -0.133195691129E+04 0.95115E-01 -0.14124E+00 1600 0.334E-01 0.186E+00 DAV: 4 -0.133191377936E+04 0.43132E-01 -0.28700E-02 1536 0.217E-01 0.554E-01 DAV: 5 -0.133191331424E+04 0.46512E-03 -0.12665E-02 1696 0.146E-01 0.338E-01 DAV: 6 -0.133191352888E+04 -0.21464E-03 -0.22381E-03 1632 0.821E-02 0.282E-01 DAV: 7 -0.133191317263E+04 0.35624E-03 -0.64771E-04 1568 0.330E-02 0.156E-01 DAV: 8 -0.133191306003E+04 0.11261E-03 -0.79622E-05 1088 0.132E-02 0.798E-02 DAV: 9 -0.133191314114E+04 -0.81118E-04 -0.83385E-05 1024 0.129E-02 188 F= -.13505062E+04 E0= -.13504731E+04 d E =-.402686E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133189536767E+04 0.17692E-01 -0.22906E+01 1408 0.606E+00 0.129E+00 DAV: 2 -0.133200271354E+04 -0.10735E+00 -0.11237E+00 1664 0.931E-01 0.276E+00 DAV: 3 -0.133197251780E+04 0.30196E-01 -0.89791E-01 1600 0.231E-01 0.157E+00 DAV: 4 -0.133194494371E+04 0.27574E-01 -0.14523E-02 1536 0.159E-01 0.528E-01 DAV: 5 -0.133194486435E+04 0.79365E-04 -0.87073E-03 1696 0.121E-01 0.488E-01 DAV: 6 -0.133194392208E+04 0.94227E-03 -0.16883E-03 1632 0.687E-02 0.260E-01 DAV: 7 -0.133194346938E+04 0.45270E-03 -0.40187E-04 1504 0.259E-02 0.525E-02 DAV: 8 -0.133194346304E+04 0.63415E-05 -0.26974E-05 1120 0.843E-03 189 F= -.13505393E+04 E0= -.13505076E+04 d E =-.331616E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133171476831E+04 0.22870E+00 -0.11731E+02 1408 0.137E+01 0.291E+00 DAV: 2 -0.133217492697E+04 -0.46016E+00 -0.51458E+00 1664 0.212E+00 0.379E+00 DAV: 3 -0.133208802944E+04 0.86898E-01 -0.25846E+00 1600 0.535E-01 0.234E+00 DAV: 4 -0.133197693525E+04 0.11109E+00 -0.74721E-02 1536 0.339E-01 0.127E+00 DAV: 5 -0.133202525140E+04 -0.48316E-01 -0.76179E-01 1600 0.274E-01 0.279E+00 DAV: 6 -0.133199114329E+04 0.34108E-01 -0.95192E-01 1696 0.240E-01 0.141E+00 DAV: 7 -0.133196957064E+04 0.21573E-01 -0.53372E-03 1696 0.101E-01 0.666E-01 DAV: 8 -0.133196608304E+04 0.34876E-02 -0.12368E-03 1600 0.437E-02 0.195E-01 DAV: 9 -0.133196581633E+04 0.26672E-03 -0.17576E-04 1152 0.164E-02 0.439E-02 DAV: 10 -0.133196589682E+04 -0.80496E-04 -0.55952E-05 1056 0.132E-02 190 F= -.13505682E+04 E0= -.13505362E+04 d E =-.620072E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133195753997E+04 0.82764E-02 -0.14054E+01 1408 0.471E+00 0.885E-01 DAV: 2 -0.133200721498E+04 -0.49675E-01 -0.40627E-01 1664 0.706E-01 0.173E+00 DAV: 3 -0.133200464732E+04 0.25677E-02 -0.84472E-02 1600 0.161E-01 0.127E+00 DAV: 4 -0.133198765856E+04 0.16989E-01 -0.74978E-03 1536 0.113E-01 0.372E-01 DAV: 5 -0.133198775549E+04 -0.96937E-04 -0.59334E-03 1696 0.103E-01 0.368E-01 DAV: 6 -0.133198712125E+04 0.63425E-03 -0.11207E-03 1664 0.531E-02 0.150E-01 DAV: 7 -0.133198699978E+04 0.12146E-03 -0.24416E-04 1472 0.200E-02 0.318E-02 DAV: 8 -0.133198701679E+04 -0.17004E-04 -0.16542E-05 1120 0.709E-03 191 F= -.13505916E+04 E0= -.13505607E+04 d E =-.234011E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133175352899E+04 0.23347E+00 -0.12655E+02 1408 0.141E+01 0.268E+00 DAV: 2 -0.133220202224E+04 -0.44849E+00 -0.49600E+00 1664 0.214E+00 0.366E+00 DAV: 3 -0.133213553015E+04 0.66492E-01 -0.23877E+00 1600 0.504E-01 0.225E+00 DAV: 4 -0.133203469022E+04 0.10084E+00 -0.67370E-02 1536 0.324E-01 0.123E+00 DAV: 5 -0.133208360765E+04 -0.48917E-01 -0.74123E-01 1696 0.294E-01 0.282E+00 DAV: 6 -0.133204409569E+04 0.39512E-01 -0.88198E-01 1600 0.236E-01 0.128E+00 DAV: 7 -0.133202713992E+04 0.16956E-01 -0.50882E-03 1696 0.100E-01 0.607E-01 DAV: 8 -0.133202438726E+04 0.27527E-02 -0.10879E-03 1664 0.410E-02 0.229E-01 DAV: 9 -0.133202398124E+04 0.40602E-03 -0.15178E-04 1184 0.165E-02 0.406E-02 DAV: 10 -0.133202405692E+04 -0.75684E-04 -0.57138E-05 1088 0.130E-02 192 F= -.13506362E+04 E0= -.13506048E+04 d E =-.680065E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133083152920E+04 0.11925E+01 -0.50641E+02 1408 0.283E+01 0.565E+00 DAV: 2 -0.133239043267E+04 -0.15589E+01 -0.17731E+01 1664 0.435E+00 0.561E+00 DAV: 3 -0.133232071008E+04 0.69723E-01 -0.65852E+00 1664 0.105E+00 0.339E+00 DAV: 4 -0.133206660276E+04 0.25411E+00 -0.26329E-01 1600 0.617E-01 0.241E+00 DAV: 5 -0.133220172905E+04 -0.13513E+00 -0.33251E+00 1600 0.565E-01 0.376E+00 DAV: 6 -0.133201975673E+04 0.18197E+00 -0.17498E+00 1664 0.475E-01 0.150E+00 DAV: 7 -0.133198141584E+04 0.38341E-01 -0.18961E-02 1728 0.185E-01 0.474E-01 DAV: 8 -0.133197972088E+04 0.16950E-02 -0.34852E-03 1664 0.753E-02 0.191E-01 DAV: 9 -0.133197963975E+04 0.81127E-04 -0.35415E-04 1536 0.292E-02 193 F= -.13506117E+04 E0= -.13505810E+04 d E =-.435391E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133153467776E+04 0.44504E+00 -0.23784E+02 1408 0.194E+01 0.415E+00 DAV: 2 -0.133226166112E+04 -0.72698E+00 -0.63326E+00 1696 0.294E+00 0.296E+00 DAV: 3 -0.133209069433E+04 0.17097E+00 -0.91545E-01 1696 0.671E-01 0.299E+00 DAV: 4 -0.133211899771E+04 -0.28303E-01 -0.12774E+00 1568 0.363E-01 0.210E+00 DAV: 5 -0.133202929411E+04 0.89704E-01 -0.68816E-02 1760 0.376E-01 0.769E-01 DAV: 6 -0.133202850533E+04 0.78878E-03 -0.20759E-02 1632 0.193E-01 0.261E-01 DAV: 7 -0.133202965718E+04 -0.11518E-02 -0.25314E-03 1664 0.722E-02 0.469E-01 DAV: 8 -0.133203004081E+04 -0.38363E-03 -0.14628E-03 1568 0.401E-02 0.451E-01 DAV: 9 -0.133202862113E+04 0.14197E-02 -0.55864E-04 1280 0.392E-02 0.244E-01 DAV: 10 -0.133202826219E+04 0.35895E-03 -0.16754E-04 1184 0.173E-02 0.761E-02 DAV: 11 -0.133202824898E+04 0.13209E-04 -0.42619E-05 1184 0.848E-03 194 F= -.13506459E+04 E0= -.13506153E+04 d E =-.777262E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133201928403E+04 0.89782E-02 -0.25188E+01 1408 0.634E+00 0.140E+00 DAV: 2 -0.133212450679E+04 -0.10522E+00 -0.10683E+00 1664 0.959E-01 0.273E+00 DAV: 3 -0.133210392638E+04 0.20580E-01 -0.82191E-01 1600 0.241E-01 0.152E+00 DAV: 4 -0.133207370871E+04 0.30218E-01 -0.14505E-02 1504 0.161E-01 0.569E-01 DAV: 5 -0.133207541487E+04 -0.17062E-02 -0.99754E-03 1696 0.131E-01 0.753E-01 DAV: 6 -0.133207282677E+04 0.25881E-02 -0.25948E-03 1568 0.748E-02 0.354E-01 DAV: 7 -0.133207184490E+04 0.98187E-03 -0.56059E-04 1600 0.302E-02 0.399E-02 DAV: 8 -0.133207184160E+04 0.32942E-05 -0.54286E-05 1088 0.116E-02 195 F= -.13506950E+04 E0= -.13506652E+04 d E =-.491160E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133197440770E+04 0.97437E-01 -0.57108E+01 1408 0.955E+00 0.211E+00 DAV: 2 -0.133221087158E+04 -0.23646E+00 -0.25446E+00 1664 0.145E+00 0.347E+00 DAV: 3 -0.133216049248E+04 0.50379E-01 -0.18157E+00 1600 0.376E-01 0.185E+00 DAV: 4 -0.133210048727E+04 0.60005E-01 -0.33448E-02 1504 0.240E-01 0.930E-01 DAV: 5 -0.133211286022E+04 -0.12373E-01 -0.31813E-02 1632 0.197E-01 0.172E+00 DAV: 6 -0.133210232647E+04 0.10534E-01 -0.20948E-02 1536 0.141E-01 0.890E-01 DAV: 7 -0.133209500262E+04 0.73239E-02 -0.20936E-03 1696 0.611E-02 0.327E-01 DAV: 8 -0.133209422244E+04 0.78018E-03 -0.33124E-04 1536 0.232E-02 0.112E-01 DAV: 9 -0.133209413171E+04 0.90734E-04 -0.69813E-05 1152 0.123E-02 196 F= -.13507265E+04 E0= -.13506969E+04 d E =-.805717E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133208159624E+04 0.12626E-01 -0.27976E+01 1408 0.657E+00 0.155E+00 DAV: 2 -0.133220193441E+04 -0.12034E+00 -0.12095E+00 1600 0.975E-01 0.292E+00 DAV: 3 -0.133218012192E+04 0.21812E-01 -0.10584E+00 1600 0.271E-01 0.156E+00 DAV: 4 -0.133214377494E+04 0.36347E-01 -0.14688E-02 1504 0.162E-01 0.730E-01 DAV: 5 -0.133214770140E+04 -0.39265E-02 -0.14057E-02 1568 0.148E-01 0.113E+00 DAV: 6 -0.133214078765E+04 0.69138E-02 -0.38988E-03 1568 0.908E-02 0.400E-01 DAV: 7 -0.133213947221E+04 0.13154E-02 -0.10477E-03 1504 0.413E-02 0.949E-02 DAV: 8 -0.133213945425E+04 0.17958E-04 -0.13063E-04 1344 0.166E-02 197 F= -.13507805E+04 E0= -.13507522E+04 d E =-.539957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133193068913E+04 0.20878E+00 -0.11013E+02 1408 0.130E+01 0.311E+00 DAV: 2 -0.133236386126E+04 -0.43317E+00 -0.47266E+00 1600 0.194E+00 0.382E+00 DAV: 3 -0.133228484119E+04 0.79020E-01 -0.29002E+00 1600 0.548E-01 0.204E+00 DAV: 4 -0.133218580802E+04 0.99033E-01 -0.59080E-02 1568 0.307E-01 0.141E+00 DAV: 5 -0.133224176001E+04 -0.55952E-01 -0.10674E+00 1600 0.291E-01 0.318E+00 DAV: 6 -0.133217297262E+04 0.68787E-01 -0.93687E-01 1664 0.240E-01 0.990E-01 DAV: 7 -0.133216410800E+04 0.88646E-02 -0.48540E-03 1664 0.922E-02 0.589E-01 DAV: 8 -0.133216123093E+04 0.28771E-02 -0.87149E-04 1664 0.384E-02 0.259E-01 DAV: 9 -0.133216062412E+04 0.60681E-03 -0.20931E-04 1152 0.202E-02 0.588E-02 DAV: 10 -0.133216086464E+04 -0.24051E-03 -0.99025E-05 1088 0.170E-02 0.165E-01 DAV: 11 -0.133216079095E+04 0.73688E-04 -0.41151E-05 1088 0.116E-02 198 F= -.13508208E+04 E0= -.13507917E+04 d E =-.943522E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133215652846E+04 0.43362E-02 -0.14721E+01 1408 0.471E+00 0.961E-01 DAV: 2 -0.133222251633E+04 -0.65988E-01 -0.54065E-01 1600 0.699E-01 0.229E+00 DAV: 3 -0.133220077714E+04 0.21739E-01 -0.29445E-01 1600 0.179E-01 0.106E+00 DAV: 4 -0.133218810881E+04 0.12668E-01 -0.62060E-03 1536 0.108E-01 0.390E-01 DAV: 5 -0.133218804258E+04 0.66228E-04 -0.53705E-03 1664 0.925E-02 0.372E-01 DAV: 6 -0.133218727519E+04 0.76739E-03 -0.10949E-03 1632 0.528E-02 0.129E-01 DAV: 7 -0.133218718966E+04 0.85538E-04 -0.17217E-04 1248 0.168E-02 199 F= -.13508557E+04 E0= -.13508279E+04 d E =-.349225E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133195298639E+04 0.23429E+00 -0.13265E+02 1408 0.141E+01 0.288E+00 DAV: 2 -0.133241882063E+04 -0.46583E+00 -0.50544E+00 1600 0.211E+00 0.387E+00 DAV: 3 -0.133234594967E+04 0.72871E-01 -0.27781E+00 1600 0.535E-01 0.199E+00 DAV: 4 -0.133226028174E+04 0.85668E-01 -0.58187E-02 1568 0.308E-01 0.139E+00 DAV: 5 -0.133229578399E+04 -0.35502E-01 -0.70183E-01 1600 0.283E-01 0.293E+00 DAV: 6 -0.133225067288E+04 0.45111E-01 -0.77553E-01 1760 0.240E-01 0.102E+00 DAV: 7 -0.133224024648E+04 0.10426E-01 -0.51243E-03 1728 0.946E-02 0.638E-01 DAV: 8 -0.133223665347E+04 0.35930E-02 -0.84628E-04 1600 0.376E-02 0.309E-01 DAV: 9 -0.133223569737E+04 0.95610E-03 -0.27487E-04 1184 0.226E-02 0.436E-02 DAV: 10 -0.133223589514E+04 -0.19777E-03 -0.96052E-05 1120 0.146E-02 0.153E-01 DAV: 11 -0.133223585373E+04 0.41407E-04 -0.30631E-05 1088 0.916E-03 200 F= -.13509316E+04 E0= -.13509037E+04 d E =-.110837E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133095380126E+04 0.12821E+01 -0.53128E+02 1408 0.283E+01 0.605E+00 DAV: 2 -0.133250856741E+04 -0.15548E+01 -0.17292E+01 1600 0.427E+00 0.489E+00 DAV: 3 -0.133244466258E+04 0.63905E-01 -0.60706E+00 1632 0.107E+00 0.302E+00 DAV: 4 -0.133223995307E+04 0.20471E+00 -0.23846E-01 1600 0.564E-01 0.207E+00 DAV: 5 -0.133230518868E+04 -0.65236E-01 -0.20158E+00 1632 0.508E-01 0.385E+00 DAV: 6 -0.133222089556E+04 0.84293E-01 -0.25945E+00 1600 0.524E-01 0.129E+00 DAV: 7 -0.133218897636E+04 0.31919E-01 -0.23407E-02 1664 0.191E-01 0.112E+00 DAV: 8 -0.133216353828E+04 0.25438E-01 -0.54752E-03 1664 0.998E-02 0.830E-01 DAV: 9 -0.133215319327E+04 0.10345E-01 -0.19175E-03 1632 0.582E-02 0.387E-01 DAV: 10 -0.133215153714E+04 0.16561E-02 -0.57512E-04 1344 0.408E-02 0.263E-01 DAV: 11 -0.133215131272E+04 0.22442E-03 -0.28088E-04 1248 0.229E-02 0.154E-01 DAV: 12 -0.133215129260E+04 0.20124E-04 -0.11064E-04 1184 0.173E-02 201 F= -.13509062E+04 E0= -.13508821E+04 d E =-.854060E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133176988160E+04 0.38143E+00 -0.22031E+02 1408 0.182E+01 0.422E+00 DAV: 2 -0.133237944521E+04 -0.60956E+00 -0.57560E+00 1696 0.271E+00 0.246E+00 DAV: 3 -0.133232478899E+04 0.54656E-01 -0.10715E+00 1696 0.625E-01 0.344E+00 DAV: 4 -0.133230200909E+04 0.22780E-01 -0.15914E+00 1568 0.341E-01 0.172E+00 DAV: 5 -0.133223937246E+04 0.62637E-01 -0.44484E-02 1600 0.318E-01 0.636E-01 DAV: 6 -0.133224938455E+04 -0.10012E-01 -0.20714E-02 1632 0.209E-01 0.135E+00 DAV: 7 -0.133223799668E+04 0.11388E-01 -0.69802E-03 1632 0.100E-01 0.227E-01 DAV: 8 -0.133224011138E+04 -0.21147E-02 -0.10675E-03 1568 0.487E-02 0.599E-01 DAV: 9 -0.133223773918E+04 0.23722E-02 -0.52122E-04 1504 0.246E-02 0.188E-01 DAV: 10 -0.133223759935E+04 0.13983E-03 -0.16381E-04 1184 0.196E-02 0.130E-01 DAV: 11 -0.133223750408E+04 0.95264E-04 -0.60050E-05 1088 0.992E-03 202 F= -.13509540E+04 E0= -.13509274E+04 d E =-.133160E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133224623439E+04 -0.86350E-02 -0.22099E+01 1408 0.583E+00 0.135E+00 DAV: 2 -0.133232441099E+04 -0.78177E-01 -0.60509E-01 1696 0.883E-01 0.216E+00 DAV: 3 -0.133232481624E+04 -0.40525E-03 -0.71056E-02 1600 0.224E-01 0.135E+00 DAV: 4 -0.133229693083E+04 0.27885E-01 -0.13555E-02 1568 0.147E-01 0.747E-01 DAV: 5 -0.133229739701E+04 -0.46617E-03 -0.10871E-02 1632 0.133E-01 0.897E-01 DAV: 6 -0.133229301047E+04 0.43865E-02 -0.36449E-03 1568 0.819E-02 0.348E-01 DAV: 7 -0.133229181651E+04 0.11940E-02 -0.52198E-04 1440 0.312E-02 0.564E-02 DAV: 8 -0.133229179415E+04 0.22364E-04 -0.69585E-05 1152 0.109E-02 203 F= -.13510208E+04 E0= -.13509955E+04 d E =-.668628E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133224487164E+04 0.46945E-01 -0.34670E+01 1408 0.731E+00 0.168E+00 DAV: 2 -0.133236382094E+04 -0.11895E+00 -0.11019E+00 1696 0.111E+00 0.258E+00 DAV: 3 -0.133236434991E+04 -0.52897E-03 -0.49780E-01 1600 0.279E-01 0.148E+00 DAV: 4 -0.133232700880E+04 0.37341E-01 -0.20966E-02 1536 0.182E-01 0.961E-01 DAV: 5 -0.133232621459E+04 0.79421E-03 -0.18000E-02 1632 0.168E-01 0.119E+00 DAV: 6 -0.133231950905E+04 0.67055E-02 -0.66121E-03 1536 0.111E-01 0.502E-01 DAV: 7 -0.133231680660E+04 0.27024E-02 -0.92698E-04 1568 0.413E-02 0.134E-01 DAV: 8 -0.133231664594E+04 0.16066E-03 -0.15399E-04 1216 0.155E-02 0.371E-02 DAV: 9 -0.133231664694E+04 -0.99916E-06 -0.32430E-05 1056 0.883E-03 204 F= -.13510617E+04 E0= -.13510364E+04 d E =-.107728E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133230596053E+04 0.10685E-01 -0.40648E+00 1408 0.250E+00 0.569E-01 DAV: 2 -0.133231669003E+04 -0.10730E-01 -0.10728E-01 1696 0.375E-01 0.520E-01 DAV: 3 -0.133232451264E+04 -0.78226E-02 -0.64508E-03 1632 0.966E-02 0.862E-01 DAV: 4 -0.133231452742E+04 0.99852E-02 -0.32592E-03 1504 0.640E-02 0.189E-01 DAV: 5 -0.133231463480E+04 -0.10739E-03 -0.15978E-03 1728 0.522E-02 0.191E-01 DAV: 6 -0.133231443167E+04 0.20313E-03 -0.35386E-04 1440 0.284E-02 0.852E-02 DAV: 7 -0.133231438826E+04 0.43408E-04 -0.88682E-05 1056 0.128E-02 205 F= -.13510650E+04 E0= -.13510398E+04 d E =-.110999E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133231827172E+04 -0.38400E-02 -0.25116E+01 1408 0.614E+00 0.155E+00 DAV: 2 -0.133243783317E+04 -0.11956E+00 -0.11559E+00 1696 0.943E-01 0.305E+00 DAV: 3 -0.133240401070E+04 0.33822E-01 -0.93316E-01 1600 0.271E-01 0.131E+00 DAV: 4 -0.133237746539E+04 0.26545E-01 -0.19619E-02 1536 0.178E-01 0.820E-01 DAV: 5 -0.133237164636E+04 0.58190E-02 -0.11782E-02 1664 0.129E-01 0.512E-01 DAV: 6 -0.133237009739E+04 0.15490E-02 -0.23307E-03 1600 0.727E-02 0.197E-01 DAV: 7 -0.133236971756E+04 0.37983E-03 -0.42363E-04 1504 0.261E-02 0.419E-02 DAV: 8 -0.133236971386E+04 0.37012E-05 -0.34420E-05 1088 0.863E-03 206 F= -.13511352E+04 E0= -.13511114E+04 d E =-.702591E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133224438521E+04 0.12533E+00 -0.68331E+01 1408 0.101E+01 0.254E+00 DAV: 2 -0.133251209565E+04 -0.26771E+00 -0.29184E+00 1696 0.155E+00 0.379E+00 DAV: 3 -0.133247002911E+04 0.42067E-01 -0.23795E+00 1600 0.444E-01 0.168E+00 DAV: 4 -0.133241595971E+04 0.54069E-01 -0.53963E-02 1536 0.288E-01 0.124E+00 DAV: 5 -0.133238878001E+04 0.27180E-01 -0.33681E-02 1664 0.212E-01 0.627E-01 DAV: 6 -0.133238783092E+04 0.94909E-03 -0.67729E-03 1568 0.121E-01 0.375E-01 DAV: 7 -0.133238615663E+04 0.16743E-02 -0.13711E-03 1600 0.485E-02 0.110E-01 DAV: 8 -0.133238609521E+04 0.61416E-04 -0.15165E-04 1248 0.162E-02 207 F= -.13511762E+04 E0= -.13511535E+04 d E =-.111192E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133235936906E+04 0.26788E-01 -0.39451E+01 1408 0.767E+00 0.199E+00 DAV: 2 -0.133250256744E+04 -0.14320E+00 -0.13749E+00 1696 0.118E+00 0.291E+00 DAV: 3 -0.133249660780E+04 0.59596E-02 -0.70259E-01 1632 0.338E-01 0.140E+00 DAV: 4 -0.133245818346E+04 0.38424E-01 -0.34779E-02 1632 0.227E-01 0.972E-01 DAV: 5 -0.133244492738E+04 0.13256E-01 -0.19197E-02 1696 0.153E-01 0.601E-01 DAV: 6 -0.133244328579E+04 0.16416E-02 -0.42897E-03 1536 0.978E-02 0.275E-01 DAV: 7 -0.133244241259E+04 0.87320E-03 -0.90810E-04 1664 0.377E-02 0.721E-02 DAV: 8 -0.133244240123E+04 0.11363E-04 -0.82471E-05 1152 0.119E-02 208 F= -.13512519E+04 E0= -.13512303E+04 d E =-.757716E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133241801110E+04 0.24401E-01 -0.13057E+01 1408 0.441E+00 0.114E+00 DAV: 2 -0.133246122196E+04 -0.43211E-01 -0.37477E-01 1664 0.673E-01 0.144E+00 DAV: 3 -0.133246869262E+04 -0.74707E-02 -0.27438E-02 1632 0.196E-01 0.103E+00 DAV: 4 -0.133244835681E+04 0.20336E-01 -0.12368E-02 1632 0.129E-01 0.520E-01 DAV: 5 -0.133244762792E+04 0.72889E-03 -0.61378E-03 1664 0.870E-02 0.536E-01 DAV: 6 -0.133244606523E+04 0.15627E-02 -0.20645E-03 1600 0.679E-02 0.247E-01 DAV: 7 -0.133244534649E+04 0.71874E-03 -0.44337E-04 1472 0.265E-02 0.342E-02 DAV: 8 -0.133244535520E+04 -0.87080E-05 -0.57276E-05 1152 0.885E-03 209 F= -.13512659E+04 E0= -.13512449E+04 d E =-.897809E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133246185288E+04 -0.16506E-01 -0.18208E+01 1408 0.526E+00 0.163E+00 DAV: 2 -0.133252719876E+04 -0.65346E-01 -0.49966E-01 1632 0.817E-01 0.201E+00 DAV: 3 -0.133253699084E+04 -0.97921E-02 -0.49969E-02 1568 0.262E-01 0.117E+00 DAV: 4 -0.133250867219E+04 0.28319E-01 -0.15948E-02 1664 0.151E-01 0.782E-01 DAV: 5 -0.133250493903E+04 0.37332E-02 -0.15428E-02 1696 0.140E-01 0.915E-01 DAV: 6 -0.133250049003E+04 0.44490E-02 -0.52451E-03 1632 0.968E-02 0.373E-01 DAV: 7 -0.133249860978E+04 0.18802E-02 -0.72058E-04 1504 0.364E-02 0.113E-01 DAV: 8 -0.133249845373E+04 0.15606E-03 -0.13358E-04 1216 0.152E-02 0.280E-02 DAV: 9 -0.133249847489E+04 -0.21160E-04 -0.36089E-05 1056 0.962E-03 210 F= -.13513283E+04 E0= -.13513077E+04 d E =-.623577E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133249062963E+04 0.78241E-02 -0.89427E+00 1472 0.369E+00 0.113E+00 DAV: 2 -0.133251800597E+04 -0.27376E-01 -0.24415E-01 1664 0.572E-01 0.108E+00 DAV: 3 -0.133253226310E+04 -0.14257E-01 -0.24057E-02 1568 0.184E-01 0.963E-01 DAV: 4 -0.133251134567E+04 0.20917E-01 -0.95855E-03 1664 0.107E-01 0.476E-01 DAV: 5 -0.133251548124E+04 -0.41356E-02 -0.77702E-03 1664 0.101E-01 0.928E-01 DAV: 6 -0.133250971609E+04 0.57652E-02 -0.37160E-03 1664 0.818E-02 0.280E-01 DAV: 7 -0.133250878328E+04 0.93281E-03 -0.47655E-04 1440 0.288E-02 0.108E-01 DAV: 8 -0.133250865367E+04 0.12961E-03 -0.88535E-05 1152 0.128E-02 0.280E-02 DAV: 9 -0.133250866655E+04 -0.12888E-04 -0.19883E-05 1024 0.713E-03 211 F= -.13513449E+04 E0= -.13513252E+04 d E =-.789431E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133253927728E+04 -0.30624E-01 -0.19249E+01 1408 0.542E+00 0.136E+00 DAV: 2 -0.133260655826E+04 -0.67281E-01 -0.49719E-01 1600 0.827E-01 0.202E+00 DAV: 3 -0.133260175549E+04 0.48028E-02 -0.41028E-02 1600 0.239E-01 0.986E-01 DAV: 4 -0.133258284175E+04 0.18914E-01 -0.11053E-02 1632 0.134E-01 0.623E-01 DAV: 5 -0.133257991975E+04 0.29220E-02 -0.10941E-02 1568 0.124E-01 0.609E-01 DAV: 6 -0.133257722925E+04 0.26905E-02 -0.28863E-03 1632 0.707E-02 0.179E-01 DAV: 7 -0.133257683190E+04 0.39735E-03 -0.48543E-04 1440 0.298E-02 0.441E-02 DAV: 8 -0.133257683698E+04 -0.50851E-05 -0.57766E-05 1152 0.104E-02 212 F= -.13514231E+04 E0= -.13514043E+04 d E =-.782653E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133254534370E+04 0.31488E-01 -0.43437E+01 1408 0.815E+00 0.205E+00 DAV: 2 -0.133268299003E+04 -0.13765E+00 -0.11251E+00 1632 0.124E+00 0.270E+00 DAV: 3 -0.133267804146E+04 0.49486E-02 -0.88013E-02 1600 0.356E-01 0.120E+00 DAV: 4 -0.133264813602E+04 0.29905E-01 -0.25538E-02 1632 0.201E-01 0.848E-01 DAV: 5 -0.133263142143E+04 0.16715E-01 -0.23409E-02 1632 0.175E-01 0.401E-01 DAV: 6 -0.133263046678E+04 0.95465E-03 -0.43415E-03 1632 0.835E-02 0.124E-01 DAV: 7 -0.133263034902E+04 0.11776E-03 -0.52470E-04 1536 0.294E-02 0.867E-02 DAV: 8 -0.133263031571E+04 0.33309E-04 -0.10652E-04 1120 0.127E-02 213 F= -.13514915E+04 E0= -.13514748E+04 d E =-.146608E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133220659661E+04 0.42375E+00 -0.17373E+02 1408 0.163E+01 0.412E+00 DAV: 2 -0.133264849155E+04 -0.44189E+00 -0.46192E+00 1664 0.249E+00 0.342E+00 DAV: 3 -0.133268299224E+04 -0.34501E-01 -0.76450E-01 1632 0.725E-01 0.186E+00 DAV: 4 -0.133261038353E+04 0.72609E-01 -0.10599E-01 1696 0.376E-01 0.118E+00 DAV: 5 -0.133255799681E+04 0.52387E-01 -0.79982E-02 1632 0.305E-01 0.491E-01 DAV: 6 -0.133256232156E+04 -0.43248E-02 -0.16627E-02 1696 0.162E-01 0.920E-01 DAV: 7 -0.133255875300E+04 0.35686E-02 -0.89114E-03 1632 0.116E-01 0.361E-01 DAV: 8 -0.133255510212E+04 0.36509E-02 -0.16385E-03 1568 0.602E-02 0.783E-02 DAV: 9 -0.133255548967E+04 -0.38755E-03 -0.43549E-04 1536 0.303E-02 0.197E-01 DAV: 10 -0.133255515335E+04 0.33632E-03 -0.34485E-04 1280 0.256E-02 0.174E-02 DAV: 11 -0.133255521043E+04 -0.57084E-04 -0.64056E-05 1120 0.106E-02 214 F= -.13514448E+04 E0= -.13514308E+04 d E =-.999131E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133247028721E+04 0.84866E-01 -0.82508E+01 1408 0.112E+01 0.301E+00 DAV: 2 -0.133269800800E+04 -0.22772E+00 -0.22029E+00 1600 0.173E+00 0.162E+00 DAV: 3 -0.133264158688E+04 0.56421E-01 -0.10873E-01 1664 0.417E-01 0.998E-01 DAV: 4 -0.133264751375E+04 -0.59269E-02 -0.32947E-02 1568 0.216E-01 0.885E-01 DAV: 5 -0.133264245518E+04 0.50586E-02 -0.19661E-02 1568 0.204E-01 0.104E+00 DAV: 6 -0.133263987996E+04 0.25752E-02 -0.11906E-02 1664 0.140E-01 0.525E-01 DAV: 7 -0.133263390050E+04 0.59795E-02 -0.29211E-03 1568 0.809E-02 0.871E-02 DAV: 8 -0.133263385457E+04 0.45930E-04 -0.55769E-04 1664 0.295E-02 215 F= -.13515041E+04 E0= -.13514889E+04 d E =-.159187E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133265734163E+04 -0.23441E-01 -0.64901E+00 1408 0.315E+00 0.716E-01 DAV: 2 -0.133267884862E+04 -0.21507E-01 -0.16347E-01 1600 0.475E-01 0.101E+00 DAV: 3 -0.133267654405E+04 0.23046E-02 -0.13703E-02 1632 0.137E-01 0.573E-01 DAV: 4 -0.133267044293E+04 0.61011E-02 -0.33656E-03 1632 0.747E-02 0.274E-01 DAV: 5 -0.133267043634E+04 0.65868E-05 -0.34594E-03 1568 0.740E-02 0.294E-01 DAV: 6 -0.133266957097E+04 0.86537E-03 -0.88692E-04 1536 0.400E-02 0.609E-02 DAV: 7 -0.133266953461E+04 0.36365E-04 -0.17453E-04 1472 0.167E-02 216 F= -.13515452E+04 E0= -.13515298E+04 d E =-.411172E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133262531058E+04 0.44260E-01 -0.58456E+01 1408 0.946E+00 0.214E+00 DAV: 2 -0.133277730067E+04 -0.15199E+00 -0.14767E+00 1696 0.142E+00 0.210E+00 DAV: 3 -0.133278527377E+04 -0.79731E-02 -0.10117E-01 1664 0.400E-01 0.112E+00 DAV: 4 -0.133275614385E+04 0.29130E-01 -0.31243E-02 1600 0.213E-01 0.770E-01 DAV: 5 -0.133273941557E+04 0.16728E-01 -0.27989E-02 1568 0.188E-01 0.363E-01 DAV: 6 -0.133273868673E+04 0.72885E-03 -0.60643E-03 1696 0.104E-01 0.138E-01 DAV: 7 -0.133273841105E+04 0.27568E-03 -0.88714E-04 1600 0.388E-02 0.646E-02 DAV: 8 -0.133273840845E+04 0.25955E-05 -0.13543E-04 1216 0.136E-02 217 F= -.13516299E+04 E0= -.13516172E+04 d E =-.125819E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133221716765E+04 0.52124E+00 -0.23379E+02 1408 0.189E+01 0.429E+00 DAV: 2 -0.133274873157E+04 -0.53156E+00 -0.59835E+00 1632 0.286E+00 0.217E+00 DAV: 3 -0.133273864274E+04 0.10089E-01 -0.21036E-01 1664 0.654E-01 0.145E+00 DAV: 4 -0.133269844455E+04 0.40198E-01 -0.88079E-02 1600 0.348E-01 0.888E-01 DAV: 5 -0.133271448927E+04 -0.16045E-01 -0.52603E-02 1600 0.271E-01 0.180E+00 DAV: 6 -0.133270069170E+04 0.13798E-01 -0.50034E-02 1696 0.301E-01 0.464E-01 DAV: 7 -0.133269834925E+04 0.23425E-02 -0.75954E-03 1664 0.118E-01 0.401E-01 DAV: 8 -0.133269535941E+04 0.29898E-02 -0.28950E-03 1664 0.661E-02 0.340E-01 DAV: 9 -0.133269263094E+04 0.27285E-02 -0.71482E-04 1536 0.341E-02 0.280E-01 DAV: 10 -0.133268951194E+04 0.31190E-02 -0.72803E-04 1344 0.403E-02 0.157E-01 DAV: 11 -0.133268861613E+04 0.89582E-03 -0.48778E-04 1440 0.324E-02 0.287E-02 DAV: 12 -0.133268872452E+04 -0.10839E-03 -0.14502E-04 1152 0.170E-02 0.612E-02 DAV: 13 -0.133268882313E+04 -0.98614E-04 -0.25043E-05 1056 0.661E-03 218 F= -.13516095E+04 E0= -.13515995E+04 d E =-.105462E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133258597154E+04 0.10275E+00 -0.84433E+01 1408 0.114E+01 0.274E+00 DAV: 2 -0.133279409728E+04 -0.20813E+00 -0.21892E+00 1632 0.173E+00 0.137E+00 DAV: 3 -0.133275850092E+04 0.35596E-01 -0.81689E-02 1664 0.388E-01 0.827E-01 DAV: 4 -0.133275359047E+04 0.49105E-02 -0.33878E-02 1664 0.244E-01 0.491E-01 DAV: 5 -0.133275487747E+04 -0.12870E-02 -0.66138E-03 1664 0.122E-01 0.529E-01 DAV: 6 -0.133275416192E+04 0.71556E-03 -0.61979E-03 1600 0.954E-02 0.327E-01 DAV: 7 -0.133275197967E+04 0.21822E-02 -0.18027E-03 1504 0.631E-02 0.576E-02 DAV: 8 -0.133275198875E+04 -0.90751E-05 -0.41994E-04 1632 0.273E-02 219 F= -.13516555E+04 E0= -.13516436E+04 d E =-.151469E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133278821945E+04 -0.36240E-01 -0.21790E+00 1408 0.193E+00 0.759E-01 DAV: 2 -0.133279341466E+04 -0.51952E-02 -0.60543E-02 1664 0.309E-01 0.432E-01 DAV: 3 -0.133279579782E+04 -0.23832E-02 -0.60333E-03 1632 0.980E-02 0.404E-01 DAV: 4 -0.133279219838E+04 0.35994E-02 -0.34700E-03 1600 0.651E-02 0.150E-01 DAV: 5 -0.133279217812E+04 0.20260E-04 -0.89780E-04 1568 0.391E-02 220 F= -.13516970E+04 E0= -.13516852E+04 d E =-.415083E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133282173407E+04 -0.29536E-01 -0.60971E+00 1408 0.322E+00 0.129E+00 DAV: 2 -0.133283645600E+04 -0.14722E-01 -0.17418E-01 1664 0.522E-01 0.741E-01 DAV: 3 -0.133284203370E+04 -0.55777E-02 -0.17929E-02 1600 0.169E-01 0.582E-01 DAV: 4 -0.133283281791E+04 0.92158E-02 -0.94947E-03 1600 0.107E-01 0.238E-01 DAV: 5 -0.133283345260E+04 -0.63469E-03 -0.28407E-03 1760 0.725E-02 0.247E-01 DAV: 6 -0.133283309785E+04 0.35475E-03 -0.15172E-03 1504 0.447E-02 0.145E-01 DAV: 7 -0.133283264834E+04 0.44951E-03 -0.34756E-04 1344 0.277E-02 0.249E-02 DAV: 8 -0.133283265198E+04 -0.36426E-05 -0.55259E-05 1152 0.102E-02 221 F= -.13517397E+04 E0= -.13517283E+04 d E =-.841182E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133277181162E+04 0.60837E-01 -0.24320E+01 1408 0.643E+00 0.258E+00 DAV: 2 -0.133282684702E+04 -0.55035E-01 -0.68503E-01 1664 0.104E+00 0.138E+00 DAV: 3 -0.133283493319E+04 -0.80862E-02 -0.54735E-02 1664 0.315E-01 0.857E-01 DAV: 4 -0.133281579112E+04 0.19142E-01 -0.30492E-02 1568 0.193E-01 0.427E-01 DAV: 5 -0.133281880644E+04 -0.30153E-02 -0.84692E-03 1760 0.131E-01 0.565E-01 DAV: 6 -0.133281812233E+04 0.68411E-03 -0.77411E-03 1568 0.100E-01 0.306E-01 DAV: 7 -0.133281557872E+04 0.25436E-02 -0.12593E-03 1504 0.521E-02 0.138E-01 DAV: 8 -0.133281513532E+04 0.44340E-03 -0.32546E-04 1408 0.284E-02 0.384E-02 DAV: 9 -0.133281513368E+04 0.16440E-05 -0.88751E-05 1152 0.150E-02 222 F= -.13517262E+04 E0= -.13517155E+04 d E =-.706270E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133282581879E+04 -0.10683E-01 -0.88485E+00 1408 0.388E+00 0.155E+00 DAV: 2 -0.133284781405E+04 -0.21995E-01 -0.25006E-01 1632 0.629E-01 0.863E-01 DAV: 3 -0.133285121670E+04 -0.34026E-02 -0.21046E-02 1632 0.187E-01 0.103E+00 DAV: 4 -0.133284618291E+04 0.50338E-02 -0.13974E-02 1536 0.135E-01 0.479E-01 DAV: 5 -0.133284301904E+04 0.31639E-02 -0.49347E-03 1632 0.872E-02 0.248E-01 DAV: 6 -0.133284173389E+04 0.12852E-02 -0.11348E-03 1728 0.453E-02 0.103E-01 DAV: 7 -0.133284156405E+04 0.16984E-03 -0.34164E-04 1536 0.235E-02 0.283E-02 DAV: 8 -0.133284155710E+04 0.69539E-05 -0.37691E-05 1120 0.106E-02 223 F= -.13517502E+04 E0= -.13517392E+04 d E =-.946597E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133287804044E+04 -0.36476E-01 -0.39201E+00 1408 0.257E+00 0.802E-01 DAV: 2 -0.133288648097E+04 -0.84405E-02 -0.10236E-01 1696 0.392E-01 0.377E-01 DAV: 3 -0.133288761964E+04 -0.11387E-02 -0.57772E-03 1696 0.104E-01 0.342E-01 DAV: 4 -0.133288510229E+04 0.25174E-02 -0.30945E-03 1504 0.614E-02 0.152E-01 DAV: 5 -0.133288495147E+04 0.15082E-03 -0.10088E-03 1568 0.420E-02 0.479E-02 DAV: 6 -0.133288493955E+04 0.11913E-04 -0.18077E-04 1472 0.207E-02 224 F= -.13517943E+04 E0= -.13517836E+04 d E =-.440864E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133288023704E+04 0.47144E-02 -0.30494E+01 1408 0.717E+00 0.224E+00 DAV: 2 -0.133294545771E+04 -0.65221E-01 -0.80764E-01 1728 0.110E+00 0.101E+00 DAV: 3 -0.133294720474E+04 -0.17470E-02 -0.40259E-02 1696 0.280E-01 0.684E-01 DAV: 4 -0.133293517544E+04 0.12029E-01 -0.21270E-02 1568 0.163E-01 0.349E-01 DAV: 5 -0.133293513933E+04 0.36111E-04 -0.52605E-03 1664 0.950E-02 0.239E-01 DAV: 6 -0.133293525908E+04 -0.11975E-03 -0.24212E-03 1696 0.633E-02 0.177E-01 DAV: 7 -0.133293447014E+04 0.78894E-03 -0.83580E-04 1472 0.401E-02 0.413E-02 DAV: 8 -0.133293447720E+04 -0.70664E-05 -0.11198E-04 1248 0.138E-02 225 F= -.13518455E+04 E0= -.13518358E+04 d E =-.953374E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133297212792E+04 -0.37658E-01 -0.89968E+00 1408 0.395E+00 0.133E+00 DAV: 2 -0.133299125033E+04 -0.19122E-01 -0.23754E-01 1760 0.609E-01 0.600E-01 DAV: 3 -0.133298990791E+04 0.13424E-02 -0.86013E-03 1792 0.133E-01 0.377E-01 DAV: 4 -0.133299218894E+04 -0.22810E-02 -0.71874E-03 1536 0.967E-02 0.559E-01 DAV: 5 -0.133298915141E+04 0.30375E-02 -0.41058E-03 1600 0.786E-02 0.152E-01 DAV: 6 -0.133298875593E+04 0.39548E-03 -0.74673E-04 1600 0.412E-02 0.601E-02 DAV: 7 -0.133298874649E+04 0.94403E-05 -0.25485E-04 1568 0.204E-02 226 F= -.13519016E+04 E0= -.13518923E+04 d E =-.560694E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133297331227E+04 0.15444E-01 -0.24791E+01 1408 0.658E+00 0.221E+00 DAV: 2 -0.133302656116E+04 -0.53249E-01 -0.65803E-01 1760 0.101E+00 0.996E-01 DAV: 3 -0.133302356693E+04 0.29942E-02 -0.25947E-02 1760 0.229E-01 0.634E-01 DAV: 4 -0.133302310884E+04 0.45808E-03 -0.18169E-02 1568 0.155E-01 0.655E-01 DAV: 5 -0.133302063128E+04 0.24776E-02 -0.90284E-03 1664 0.120E-01 0.255E-01 DAV: 6 -0.133301907334E+04 0.15579E-02 -0.19683E-03 1568 0.686E-02 0.107E-01 DAV: 7 -0.133301893772E+04 0.13563E-03 -0.76279E-04 1664 0.362E-02 0.489E-02 DAV: 8 -0.133301896917E+04 -0.31455E-04 -0.10417E-04 1184 0.166E-02 227 F= -.13519346E+04 E0= -.13519259E+04 d E =-.890609E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133305088787E+04 -0.31950E-01 -0.95846E+00 1408 0.411E+00 0.115E+00 DAV: 2 -0.133307114486E+04 -0.20257E-01 -0.25608E-01 1760 0.642E-01 0.608E-01 DAV: 3 -0.133306982427E+04 0.13206E-02 -0.96712E-03 1792 0.145E-01 0.376E-01 DAV: 4 -0.133307039132E+04 -0.56705E-03 -0.63241E-03 1568 0.898E-02 0.403E-01 DAV: 5 -0.133306875899E+04 0.16323E-02 -0.26637E-03 1632 0.630E-02 0.144E-01 DAV: 6 -0.133306846797E+04 0.29102E-03 -0.76947E-04 1728 0.436E-02 0.343E-02 DAV: 7 -0.133306849154E+04 -0.23567E-04 -0.12107E-04 1248 0.142E-02 228 F= -.13519853E+04 E0= -.13519771E+04 d E =-.506935E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133306500498E+04 0.34630E-02 -0.13331E+01 1408 0.484E+00 0.136E+00 DAV: 2 -0.133309296730E+04 -0.27962E-01 -0.35616E-01 1792 0.758E-01 0.706E-01 DAV: 3 -0.133309079375E+04 0.21735E-02 -0.13028E-02 1792 0.169E-01 0.406E-01 DAV: 4 -0.133309142959E+04 -0.63584E-03 -0.84248E-03 1568 0.106E-01 0.428E-01 DAV: 5 -0.133308957397E+04 0.18556E-02 -0.31818E-03 1600 0.681E-02 0.167E-01 DAV: 6 -0.133308919938E+04 0.37458E-03 -0.95158E-04 1632 0.482E-02 0.475E-02 DAV: 7 -0.133308922053E+04 -0.21151E-04 -0.17431E-04 1344 0.171E-02 229 F= -.13520072E+04 E0= -.13519997E+04 d E =-.725983E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133312235207E+04 -0.33153E-01 -0.11862E+01 1408 0.457E+00 0.154E+00 DAV: 2 -0.133314681920E+04 -0.24467E-01 -0.28963E-01 1728 0.675E-01 0.549E-01 DAV: 3 -0.133314485055E+04 0.19686E-02 -0.97480E-03 1728 0.147E-01 0.333E-01 DAV: 4 -0.133314482480E+04 0.25745E-04 -0.62462E-03 1664 0.101E-01 0.314E-01 DAV: 5 -0.133314373817E+04 0.10866E-02 -0.28617E-03 1568 0.658E-02 0.111E-01 DAV: 6 -0.133314350515E+04 0.23302E-03 -0.49954E-04 1632 0.346E-02 0.503E-02 DAV: 7 -0.133314350031E+04 0.48471E-05 -0.22173E-04 1472 0.193E-02 230 F= -.13520633E+04 E0= -.13520564E+04 d E =-.561080E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133313829826E+04 0.52069E-02 -0.12833E+01 1408 0.476E+00 0.159E+00 DAV: 2 -0.133316464943E+04 -0.26351E-01 -0.31225E-01 1728 0.701E-01 0.562E-01 DAV: 3 -0.133316217461E+04 0.24748E-02 -0.99901E-03 1760 0.150E-01 0.331E-01 DAV: 4 -0.133316212214E+04 0.52471E-04 -0.68283E-03 1632 0.111E-01 0.287E-01 DAV: 5 -0.133316111246E+04 0.10097E-02 -0.26376E-03 1536 0.602E-02 0.110E-01 DAV: 6 -0.133316091512E+04 0.19734E-03 -0.47977E-04 1568 0.339E-02 0.508E-02 DAV: 7 -0.133316092970E+04 -0.14581E-04 -0.19758E-04 1344 0.190E-02 231 F= -.13520824E+04 E0= -.13520762E+04 d E =-.752294E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133318511723E+04 -0.24202E-01 -0.11935E+01 1408 0.459E+00 0.146E+00 DAV: 2 -0.133321047981E+04 -0.25363E-01 -0.30044E-01 1728 0.698E-01 0.634E-01 DAV: 3 -0.133320844107E+04 0.20387E-02 -0.93862E-03 1760 0.144E-01 0.341E-01 DAV: 4 -0.133320863777E+04 -0.19670E-03 -0.58765E-03 1600 0.105E-01 0.234E-01 DAV: 5 -0.133320802256E+04 0.61520E-03 -0.17318E-03 1600 0.475E-02 0.106E-01 DAV: 6 -0.133320793342E+04 0.89140E-04 -0.61967E-04 1472 0.390E-02 232 F= -.13521292E+04 E0= -.13521235E+04 d E =-.468004E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133320085448E+04 0.71681E-02 -0.12510E+01 1408 0.470E+00 0.151E+00 DAV: 2 -0.133322746355E+04 -0.26609E-01 -0.31518E-01 1728 0.715E-01 0.649E-01 DAV: 3 -0.133322528540E+04 0.21781E-02 -0.96612E-03 1760 0.146E-01 0.348E-01 DAV: 4 -0.133322522384E+04 0.61565E-04 -0.58535E-03 1600 0.107E-01 0.199E-01 DAV: 5 -0.133322484187E+04 0.38197E-03 -0.14876E-03 1600 0.468E-02 0.101E-01 DAV: 6 -0.133322476568E+04 0.76189E-04 -0.63350E-04 1504 0.381E-02 233 F= -.13521457E+04 E0= -.13521403E+04 d E =-.632740E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133324808068E+04 -0.23239E-01 -0.85182E+00 1408 0.390E+00 0.946E-01 DAV: 2 -0.133326565729E+04 -0.17577E-01 -0.20932E-01 1632 0.592E-01 0.441E-01 DAV: 3 -0.133326457960E+04 0.10777E-02 -0.59213E-03 1728 0.113E-01 0.258E-01 DAV: 4 -0.133326423970E+04 0.33990E-03 -0.29358E-03 1632 0.823E-02 0.127E-01 DAV: 5 -0.133326413469E+04 0.10501E-03 -0.74230E-04 1600 0.369E-02 0.689E-02 DAV: 6 -0.133326410960E+04 0.25086E-04 -0.26978E-04 1248 0.248E-02 234 F= -.13521847E+04 E0= -.13521796E+04 d E =-.390258E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133326510002E+04 -0.96534E-03 -0.82206E+00 1408 0.383E+00 0.928E-01 DAV: 2 -0.133328203931E+04 -0.16939E-01 -0.20268E-01 1632 0.583E-01 0.434E-01 DAV: 3 -0.133328096443E+04 0.10749E-02 -0.57998E-03 1760 0.112E-01 0.253E-01 DAV: 4 -0.133328057145E+04 0.39298E-03 -0.28623E-03 1664 0.823E-02 0.114E-01 DAV: 5 -0.133328051015E+04 0.61306E-04 -0.62536E-04 1600 0.371E-02 235 F= -.13522007E+04 E0= -.13521967E+04 d E =-.549713E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133330982782E+04 -0.29256E-01 -0.93030E+00 1408 0.411E+00 0.128E+00 DAV: 2 -0.133332965750E+04 -0.19830E-01 -0.23016E-01 1664 0.617E-01 0.543E-01 DAV: 3 -0.133332812026E+04 0.15372E-02 -0.68952E-03 1792 0.128E-01 0.307E-01 DAV: 4 -0.133332766418E+04 0.45609E-03 -0.47004E-03 1632 0.106E-01 0.103E-01 DAV: 5 -0.133332762132E+04 0.42857E-04 -0.85170E-04 1728 0.466E-02 236 F= -.13522474E+04 E0= -.13522439E+04 d E =-.467660E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133329710983E+04 0.30554E-01 -0.33530E+01 1408 0.779E+00 0.244E+00 DAV: 2 -0.133336891000E+04 -0.71800E-01 -0.83187E-01 1664 0.117E+00 0.102E+00 DAV: 3 -0.133336315918E+04 0.57508E-02 -0.24977E-02 1824 0.241E-01 0.578E-01 DAV: 4 -0.133336102874E+04 0.21304E-02 -0.16433E-02 1632 0.201E-01 0.185E-01 DAV: 5 -0.133336077822E+04 0.25051E-03 -0.31934E-03 1728 0.900E-02 0.123E-01 DAV: 6 -0.133336066144E+04 0.11679E-03 -0.95353E-04 1600 0.421E-02 0.585E-02 DAV: 7 -0.133336063311E+04 0.28329E-04 -0.80980E-05 1120 0.218E-02 237 F= -.13522795E+04 E0= -.13522775E+04 d E =-.788204E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133337717073E+04 -0.16509E-01 -0.48055E+00 1408 0.295E+00 0.644E-01 DAV: 2 -0.133338722364E+04 -0.10053E-01 -0.11585E-01 1664 0.442E-01 0.285E-01 DAV: 3 -0.133338667704E+04 0.54660E-03 -0.31997E-03 1824 0.827E-02 0.175E-01 DAV: 4 -0.133338645032E+04 0.22672E-03 -0.16189E-03 1632 0.660E-02 0.738E-02 DAV: 5 -0.133338645188E+04 -0.15601E-05 -0.30018E-04 1472 0.304E-02 238 F= -.13523051E+04 E0= -.13523037E+04 d E =-.256419E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133334545815E+04 0.40992E-01 -0.43143E+01 1408 0.882E+00 0.194E+00 DAV: 2 -0.133343682220E+04 -0.91364E-01 -0.10427E+00 1664 0.132E+00 0.865E-01 DAV: 3 -0.133343176765E+04 0.50545E-02 -0.28307E-02 1792 0.248E-01 0.529E-01 DAV: 4 -0.133342946023E+04 0.23074E-02 -0.14885E-02 1664 0.198E-01 0.220E-01 DAV: 5 -0.133342921822E+04 0.24201E-03 -0.29237E-03 1824 0.911E-02 0.988E-02 DAV: 6 -0.133342914733E+04 0.70883E-04 -0.71869E-04 1632 0.408E-02 239 F= -.13523468E+04 E0= -.13523466E+04 d E =-.673085E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133342607891E+04 0.31393E-02 -0.30816E+00 1472 0.236E+00 0.531E-01 DAV: 2 -0.133343255246E+04 -0.64735E-02 -0.74599E-02 1664 0.354E-01 0.227E-01 DAV: 3 -0.133343217204E+04 0.38041E-03 -0.20001E-03 1824 0.677E-02 0.137E-01 DAV: 4 -0.133343201985E+04 0.15220E-03 -0.10108E-03 1632 0.564E-02 0.554E-02 DAV: 5 -0.133343204160E+04 -0.21756E-04 -0.24324E-04 1440 0.278E-02 240 F= -.13523493E+04 E0= -.13523492E+04 d E =-.698096E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133346049638E+04 -0.28477E-01 -0.52208E+00 1472 0.308E+00 0.989E-01 DAV: 2 -0.133347198462E+04 -0.11488E-01 -0.13801E-01 1760 0.480E-01 0.454E-01 DAV: 3 -0.133347101189E+04 0.97273E-03 -0.39807E-03 1824 0.952E-02 0.254E-01 DAV: 4 -0.133347088842E+04 0.12347E-03 -0.23718E-03 1696 0.716E-02 0.879E-02 DAV: 5 -0.133347089233E+04 -0.39075E-05 -0.51919E-04 1664 0.379E-02 241 F= -.13523875E+04 E0= -.13523874E+04 d E =-.381550E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133346150293E+04 0.93855E-02 -0.18254E+01 1472 0.576E+00 0.179E+00 DAV: 2 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DAV: 2 -0.133355628406E+04 -0.29406E-01 -0.35468E-01 1760 0.761E-01 0.662E-01 DAV: 3 -0.133355360311E+04 0.26810E-02 -0.10101E-02 1760 0.150E-01 0.389E-01 DAV: 4 -0.133355286947E+04 0.73364E-03 -0.70302E-03 1696 0.123E-01 0.139E-01 DAV: 5 -0.133355277155E+04 0.97921E-04 -0.13701E-03 1760 0.602E-02 0.686E-02 DAV: 6 -0.133355277689E+04 -0.53393E-05 -0.31047E-04 1568 0.224E-02 244 F= -.13524656E+04 E0= -.13524656E+04 d E =-.529844E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133357048602E+04 -0.17714E-01 -0.12286E+01 1408 0.464E+00 0.119E+00 DAV: 2 -0.133359587471E+04 -0.25389E-01 -0.29879E-01 1728 0.694E-01 0.593E-01 DAV: 3 -0.133359404079E+04 0.18339E-02 -0.77068E-03 1760 0.124E-01 0.365E-01 DAV: 4 -0.133359338834E+04 0.65245E-03 -0.49963E-03 1664 0.106E-01 0.117E-01 DAV: 5 -0.133359338079E+04 0.75570E-05 -0.94698E-04 1696 0.485E-02 245 F= -.13525066E+04 E0= -.13525066E+04 d E =-.409408E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133358720358E+04 0.61848E-02 -0.87486E+00 1408 0.392E+00 0.101E+00 DAV: 2 -0.133360549348E+04 -0.18290E-01 -0.21468E-01 1728 0.587E-01 0.503E-01 DAV: 3 -0.133360419446E+04 0.12990E-02 -0.53965E-03 1792 0.105E-01 0.309E-01 DAV: 4 -0.133360375054E+04 0.44392E-03 -0.36877E-03 1664 0.912E-02 0.990E-02 DAV: 5 -0.133360374215E+04 0.83954E-05 -0.69892E-04 1664 0.418E-02 246 F= -.13525171E+04 E0= -.13525171E+04 d E =-.514830E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133361313730E+04 -0.93868E-02 -0.10195E+01 1408 0.420E+00 0.133E+00 DAV: 2 -0.133363526747E+04 -0.22130E-01 -0.25780E-01 1728 0.640E-01 0.653E-01 DAV: 3 -0.133363344899E+04 0.18185E-02 -0.77319E-03 1760 0.129E-01 0.334E-01 DAV: 4 -0.133363309623E+04 0.35276E-03 -0.32924E-03 1696 0.812E-02 0.105E-01 DAV: 5 -0.133363310616E+04 -0.99275E-05 -0.58268E-04 1664 0.392E-02 247 F= -.13525454E+04 E0= -.13525454E+04 d E =-.283124E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133363304556E+04 0.50665E-04 -0.12841E+00 1472 0.149E+00 0.479E-01 DAV: 2 -0.133363584963E+04 -0.28041E-02 -0.32481E-02 1728 0.227E-01 0.228E-01 DAV: 3 -0.133363564000E+04 0.20963E-03 -0.94022E-04 1792 0.453E-02 0.116E-01 DAV: 4 -0.133363560986E+04 0.30133E-04 -0.38793E-04 1568 0.284E-02 248 F= -.13525475E+04 E0= -.13525475E+04 d E =-.304375E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133363978370E+04 -0.41437E-02 -0.12071E+01 1408 0.453E+00 0.131E+00 DAV: 2 -0.133366493695E+04 -0.25153E-01 -0.28467E-01 1664 0.664E-01 0.467E-01 DAV: 3 -0.133366319909E+04 0.17379E-02 -0.67631E-03 1760 0.117E-01 0.255E-01 DAV: 4 -0.133366264241E+04 0.55668E-03 -0.35356E-03 1600 0.904E-02 0.877E-02 DAV: 5 -0.133366264693E+04 -0.45194E-05 -0.66461E-04 1696 0.385E-02 249 F= -.13525748E+04 E0= -.13525748E+04 d E =-.272615E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133366177937E+04 0.86304E-03 -0.18151E+00 1408 0.176E+00 0.526E-01 DAV: 2 -0.133366558911E+04 -0.38097E-02 -0.43281E-02 1664 0.258E-01 0.182E-01 DAV: 3 -0.133366531900E+04 0.27011E-03 -0.98959E-04 1728 0.460E-02 0.974E-02 DAV: 4 -0.133366524937E+04 0.69630E-04 -0.54346E-04 1632 0.355E-02 250 F= -.13525775E+04 E0= -.13525775E+04 d E =-.299274E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133367401510E+04 -0.86961E-02 -0.94575E+00 1408 0.402E+00 0.112E+00 DAV: 2 -0.133369303746E+04 -0.19022E-01 -0.21899E-01 1664 0.589E-01 0.507E-01 DAV: 3 -0.133369177108E+04 0.12664E-02 -0.61841E-03 1760 0.113E-01 0.282E-01 DAV: 4 -0.133369143192E+04 0.33915E-03 -0.31943E-03 1632 0.828E-02 0.859E-02 DAV: 5 -0.133369143318E+04 -0.12518E-05 -0.54231E-04 1664 0.364E-02 251 F= -.13526044E+04 E0= -.13526044E+04 d E =-.269307E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133369032342E+04 0.11085E-02 -0.36784E+00 1408 0.250E+00 0.708E-01 DAV: 2 -0.133369782713E+04 -0.75037E-02 -0.85854E-02 1696 0.368E-01 0.315E-01 DAV: 3 -0.133369733435E+04 0.49278E-03 -0.23056E-03 1728 0.700E-02 0.175E-01 DAV: 4 -0.133369720703E+04 0.12732E-03 -0.12438E-03 1632 0.516E-02 0.527E-02 DAV: 5 -0.133369720349E+04 0.35391E-05 -0.20926E-04 1440 0.232E-02 252 F= -.13526106E+04 E0= -.13526106E+04 d E =-.331453E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133370744370E+04 -0.10237E-01 -0.47899E+00 1408 0.287E+00 0.772E-01 DAV: 2 -0.133371756217E+04 -0.10118E-01 -0.11362E-01 1632 0.424E-01 0.314E-01 DAV: 3 -0.133371687838E+04 0.68380E-03 -0.28065E-03 1760 0.755E-02 0.168E-01 DAV: 4 -0.133371669910E+04 0.17928E-03 -0.14176E-03 1696 0.570E-02 0.531E-02 DAV: 5 -0.133371671044E+04 -0.11344E-04 -0.25784E-04 1536 0.240E-02 253 F= -.13526309E+04 E0= -.13526309E+04 d E =-.202512E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133371088785E+04 0.58113E-02 -0.68939E+00 1408 0.344E+00 0.936E-01 DAV: 2 -0.133372547006E+04 -0.14582E-01 -0.16367E-01 1632 0.508E-01 0.381E-01 DAV: 3 -0.133372446790E+04 0.10022E-02 -0.40361E-03 1728 0.908E-02 0.202E-01 DAV: 4 -0.133372419143E+04 0.27647E-03 -0.20125E-03 1664 0.681E-02 0.634E-02 DAV: 5 -0.133372420444E+04 -0.13013E-04 -0.37924E-04 1632 0.288E-02 254 F= -.13526392E+04 E0= -.13526392E+04 d E =-.285798E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133373124281E+04 -0.70514E-02 -0.14612E+00 1472 0.157E+00 0.297E-01 DAV: 2 -0.133373429932E+04 -0.30565E-02 -0.33701E-02 1632 0.227E-01 0.145E-01 DAV: 3 -0.133373418497E+04 0.11434E-03 -0.77071E-04 1760 0.374E-02 0.916E-02 DAV: 4 -0.133373414586E+04 0.39109E-04 -0.38492E-04 1504 0.295E-02 255 F= -.13526500E+04 E0= -.13526500E+04 d E =-.108264E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133373061563E+04 0.35693E-02 -0.13154E+01 1408 0.470E+00 0.888E-01 DAV: 2 -0.133375766128E+04 -0.27046E-01 -0.30018E-01 1632 0.679E-01 0.449E-01 DAV: 3 -0.133375648106E+04 0.11802E-02 -0.71692E-03 1760 0.113E-01 0.281E-01 DAV: 4 -0.133375591418E+04 0.56689E-03 -0.35602E-03 1600 0.889E-02 0.112E-01 DAV: 5 -0.133375593886E+04 -0.24683E-04 -0.68303E-04 1728 0.408E-02 256 F= -.13526743E+04 E0= -.13526743E+04 d E =-.351516E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133366026459E+04 0.95650E-01 -0.52551E+01 1408 0.940E+00 0.180E+00 DAV: 2 -0.133376990229E+04 -0.10964E+00 -0.12120E+00 1600 0.136E+00 0.893E-01 DAV: 3 -0.133376512300E+04 0.47793E-02 -0.28848E-02 1792 0.226E-01 0.559E-01 DAV: 4 -0.133376269807E+04 0.24249E-02 -0.13967E-02 1600 0.175E-01 0.227E-01 DAV: 5 -0.133376272909E+04 -0.31021E-04 -0.26929E-03 1792 0.809E-02 0.971E-02 DAV: 6 -0.133376281094E+04 -0.81846E-04 -0.61081E-04 1600 0.323E-02 257 F= -.13526857E+04 E0= -.13526857E+04 d E =-.465604E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133375432145E+04 0.84076E-02 -0.62027E+00 1408 0.324E+00 0.585E-01 DAV: 2 -0.133376695327E+04 -0.12632E-01 -0.13971E-01 1664 0.465E-01 0.309E-01 DAV: 3 -0.133376640032E+04 0.55295E-03 -0.32428E-03 1760 0.755E-02 0.197E-01 DAV: 4 -0.133376616716E+04 0.23316E-03 -0.16760E-03 1632 0.611E-02 0.770E-02 DAV: 5 -0.133376619675E+04 -0.29588E-04 -0.32034E-04 1632 0.278E-02 258 F= -.13526876E+04 E0= -.13526876E+04 d E =-.484622E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133377887232E+04 -0.12705E-01 -0.64963E+00 1408 0.332E+00 0.676E-01 DAV: 2 -0.133379219757E+04 -0.13325E-01 -0.15210E-01 1600 0.487E-01 0.353E-01 DAV: 3 -0.133379145371E+04 0.74386E-03 -0.39048E-03 1792 0.856E-02 0.216E-01 DAV: 4 -0.133379116022E+04 0.29349E-03 -0.18798E-03 1600 0.656E-02 0.762E-02 DAV: 5 -0.133379117354E+04 -0.13318E-04 -0.35939E-04 1632 0.302E-02 259 F= -.13527140E+04 E0= -.13527140E+04 d E =-.263546E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133377972048E+04 0.11440E-01 -0.12681E+01 1408 0.464E+00 0.957E-01 DAV: 2 -0.133380598821E+04 -0.26268E-01 -0.29945E-01 1632 0.682E-01 0.492E-01 DAV: 3 -0.133380459674E+04 0.13915E-02 -0.75851E-03 1792 0.120E-01 0.302E-01 DAV: 4 -0.133380403545E+04 0.56130E-03 -0.36827E-03 1600 0.921E-02 0.109E-01 DAV: 5 -0.133380404861E+04 -0.13158E-04 -0.72051E-04 1696 0.433E-02 260 F= -.13527286E+04 E0= -.13527286E+04 d E =-.410028E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133381391773E+04 -0.98823E-02 -0.51318E+00 1408 0.296E+00 0.755E-01 DAV: 2 -0.133382459328E+04 -0.10676E-01 -0.12241E-01 1632 0.436E-01 0.333E-01 DAV: 3 -0.133382391422E+04 0.67906E-03 -0.30973E-03 1888 0.779E-02 0.193E-01 DAV: 4 -0.133382365413E+04 0.26009E-03 -0.17878E-03 1728 0.660E-02 0.609E-02 DAV: 5 -0.133382366137E+04 -0.72416E-05 -0.34844E-04 1568 0.288E-02 261 F= -.13527487E+04 E0= -.13527487E+04 d E =-.200558E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133382028570E+04 0.33684E-02 -0.51469E+00 1408 0.296E+00 0.759E-01 DAV: 2 -0.133383101758E+04 -0.10732E-01 -0.12309E-01 1632 0.437E-01 0.333E-01 DAV: 3 -0.133383029341E+04 0.72417E-03 -0.30771E-03 1888 0.779E-02 0.191E-01 DAV: 4 -0.133383000139E+04 0.29201E-03 -0.18142E-03 1728 0.667E-02 0.602E-02 DAV: 5 -0.133383000363E+04 -0.22360E-05 -0.35774E-04 1568 0.291E-02 262 F= -.13527554E+04 E0= -.13527554E+04 d E =-.267913E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133383496331E+04 -0.49619E-02 -0.67690E+00 1408 0.336E+00 0.874E-01 DAV: 2 -0.133384914006E+04 -0.14177E-01 -0.15675E-01 1632 0.487E-01 0.310E-01 DAV: 3 -0.133384834456E+04 0.79550E-03 -0.37292E-03 1856 0.850E-02 0.176E-01 DAV: 4 -0.133384810920E+04 0.23536E-03 -0.19235E-03 1632 0.661E-02 0.615E-02 DAV: 5 -0.133384812604E+04 -0.16840E-04 -0.32741E-04 1536 0.277E-02 263 F= -.13527740E+04 E0= -.13527740E+04 d E =-.185596E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133383944549E+04 0.86637E-02 -0.75743E+00 1408 0.355E+00 0.929E-01 DAV: 2 -0.133385528491E+04 -0.15839E-01 -0.17502E-01 1632 0.514E-01 0.330E-01 DAV: 3 -0.133385438132E+04 0.90359E-03 -0.41214E-03 1824 0.896E-02 0.186E-01 DAV: 4 -0.133385411565E+04 0.26567E-03 -0.21036E-03 1632 0.692E-02 0.643E-02 DAV: 5 -0.133385413243E+04 -0.16782E-04 -0.36499E-04 1536 0.291E-02 264 F= -.13527804E+04 E0= -.13527804E+04 d E =-.249741E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133386023084E+04 -0.61152E-02 -0.76590E+00 1408 0.356E+00 0.920E-01 DAV: 2 -0.133387679021E+04 -0.16559E-01 -0.18327E-01 1632 0.527E-01 0.352E-01 DAV: 3 -0.133387574592E+04 0.10443E-02 -0.43494E-03 1792 0.947E-02 0.203E-01 DAV: 4 -0.133387533229E+04 0.41363E-03 -0.21790E-03 1664 0.767E-02 0.645E-02 DAV: 5 -0.133387532579E+04 0.64937E-05 -0.53863E-04 1664 0.346E-02 265 F= -.13527999E+04 E0= -.13527999E+04 d E =-.194581E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133387382513E+04 0.15072E-02 -0.30139E+00 1408 0.223E+00 0.585E-01 DAV: 2 -0.133388030251E+04 -0.64774E-02 -0.72436E-02 1632 0.331E-01 0.222E-01 DAV: 3 -0.133387985612E+04 0.44638E-03 -0.17014E-03 1760 0.604E-02 0.129E-01 DAV: 4 -0.133387966158E+04 0.19455E-03 -0.85714E-04 1664 0.500E-02 0.413E-02 DAV: 5 -0.133387966234E+04 -0.75767E-06 -0.23214E-04 1504 0.233E-02 266 F= -.13528031E+04 E0= -.13528031E+04 d E =-.226602E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133388302505E+04 -0.33635E-02 -0.91215E+00 1408 0.390E+00 0.105E+00 DAV: 2 -0.133390280922E+04 -0.19784E-01 -0.21643E-01 1632 0.574E-01 0.376E-01 DAV: 3 -0.133390177317E+04 0.10360E-02 -0.52445E-03 1824 0.982E-02 0.213E-01 DAV: 4 -0.133390144221E+04 0.33096E-03 -0.22171E-03 1664 0.728E-02 0.653E-02 DAV: 5 -0.133390148613E+04 -0.43923E-04 -0.42869E-04 1568 0.290E-02 267 F= -.13528218E+04 E0= -.13528218E+04 d E =-.187515E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133390042918E+04 0.10130E-02 -0.25611E+00 1408 0.207E+00 0.563E-01 DAV: 2 -0.133390599424E+04 -0.55651E-02 -0.61077E-02 1632 0.305E-01 0.201E-01 DAV: 3 -0.133390570950E+04 0.28474E-03 -0.14589E-03 1856 0.521E-02 0.114E-01 DAV: 4 -0.133390562373E+04 0.85762E-04 -0.64259E-04 1632 0.393E-02 268 F= -.13528243E+04 E0= -.13528243E+04 d E =-.212303E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133391350509E+04 -0.77956E-02 -0.77368E+00 1408 0.361E+00 0.732E-01 DAV: 2 -0.133392962966E+04 -0.16125E-01 -0.17960E-01 1632 0.530E-01 0.343E-01 DAV: 3 -0.133392898252E+04 0.64714E-03 -0.48696E-03 1856 0.911E-02 0.213E-01 DAV: 4 -0.133392863328E+04 0.34924E-03 -0.23169E-03 1696 0.730E-02 0.788E-02 DAV: 5 -0.133392864767E+04 -0.14391E-04 -0.46108E-04 1600 0.345E-02 269 F= -.13528462E+04 E0= -.13528462E+04 d E =-.218799E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133392540063E+04 0.32326E-02 -0.90216E+00 1408 0.390E+00 0.796E-01 DAV: 2 -0.133394432075E+04 -0.18920E-01 -0.21076E-01 1632 0.574E-01 0.372E-01 DAV: 3 -0.133394355594E+04 0.76481E-03 -0.56552E-03 1856 0.986E-02 0.231E-01 DAV: 4 -0.133394312524E+04 0.43070E-03 -0.27150E-03 1696 0.799E-02 0.854E-02 DAV: 5 -0.133394313419E+04 -0.89561E-05 -0.55821E-04 1632 0.389E-02 270 F= -.13528594E+04 E0= -.13528594E+04 d E =-.350886E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133386702936E+04 0.76096E-01 -0.36088E+01 1408 0.782E+00 0.158E+00 DAV: 2 -0.133394321344E+04 -0.76184E-01 -0.84736E-01 1632 0.115E+00 0.752E-01 DAV: 3 -0.133394001939E+04 0.31940E-02 -0.22729E-02 1856 0.198E-01 0.471E-01 DAV: 4 -0.133393809683E+04 0.19226E-02 -0.10955E-02 1664 0.160E-01 0.173E-01 DAV: 5 -0.133393809822E+04 -0.13945E-05 -0.22485E-03 1664 0.774E-02 0.924E-02 DAV: 6 -0.133393810136E+04 -0.31335E-05 -0.68315E-04 1664 0.362E-02 271 F= -.13528517E+04 E0= -.13528517E+04 d E =-.274293E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133391415561E+04 0.23943E-01 -0.16735E+01 1408 0.533E+00 0.105E+00 DAV: 2 -0.133394880294E+04 -0.34647E-01 -0.38264E-01 1664 0.776E-01 0.505E-01 DAV: 3 -0.133394728623E+04 0.15167E-02 -0.98576E-03 1856 0.130E-01 0.313E-01 DAV: 4 -0.133394652912E+04 0.75710E-03 -0.47089E-03 1664 0.103E-01 0.113E-01 DAV: 5 -0.133394657386E+04 -0.44738E-04 -0.92813E-04 1632 0.479E-02 272 F= -.13528620E+04 E0= -.13528620E+04 d E =-.376978E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133395523964E+04 -0.87105E-02 -0.70783E+00 1408 0.346E+00 0.669E-01 DAV: 2 -0.133397023473E+04 -0.14995E-01 -0.16593E-01 1664 0.510E-01 0.345E-01 DAV: 3 -0.133396951955E+04 0.71517E-03 -0.44465E-03 1856 0.874E-02 0.216E-01 DAV: 4 -0.133396913859E+04 0.38096E-03 -0.18712E-03 1632 0.679E-02 0.797E-02 DAV: 5 -0.133396914718E+04 -0.85832E-05 -0.42722E-04 1664 0.332E-02 273 F= -.13528830E+04 E0= -.13528830E+04 d E =-.209980E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133396009934E+04 0.90393E-02 -0.10844E+01 1408 0.428E+00 0.850E-01 DAV: 2 -0.133398332748E+04 -0.23228E-01 -0.25798E-01 1632 0.635E-01 0.426E-01 DAV: 3 -0.133398233435E+04 0.99314E-03 -0.68689E-03 1824 0.111E-01 0.265E-01 DAV: 4 -0.133398175191E+04 0.58243E-03 -0.29671E-03 1632 0.878E-02 0.100E-01 DAV: 5 -0.133398174090E+04 0.11018E-04 -0.68572E-04 1664 0.443E-02 274 F= -.13528936E+04 E0= -.13528936E+04 d E =-.316123E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133399285056E+04 -0.11099E-01 -0.42315E+00 1408 0.267E+00 0.631E-01 DAV: 2 -0.133400183855E+04 -0.89880E-02 -0.10201E-01 1600 0.397E-01 0.262E-01 DAV: 3 -0.133400141184E+04 0.42671E-03 -0.27095E-03 1792 0.722E-02 0.157E-01 DAV: 4 -0.133400122498E+04 0.18686E-03 -0.12354E-03 1600 0.573E-02 0.582E-02 DAV: 5 -0.133400122676E+04 -0.17778E-05 -0.26775E-04 1440 0.273E-02 275 F= -.13529107E+04 E0= -.13529107E+04 d E =-.171071E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133399241169E+04 0.88133E-02 -0.12607E+01 1408 0.461E+00 0.110E+00 DAV: 2 -0.133401929434E+04 -0.26883E-01 -0.30368E-01 1632 0.686E-01 0.457E-01 DAV: 3 -0.133401794981E+04 0.13445E-02 -0.80819E-03 1792 0.124E-01 0.272E-01 DAV: 4 -0.133401735770E+04 0.59211E-03 -0.37519E-03 1664 0.972E-02 0.998E-02 DAV: 5 -0.133401735732E+04 0.38503E-06 -0.80627E-04 1728 0.447E-02 276 F= -.13529227E+04 E0= -.13529227E+04 d E =-.291345E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133402709386E+04 -0.97362E-02 -0.31960E+00 1408 0.230E+00 0.500E-01 DAV: 2 -0.133403396726E+04 -0.68734E-02 -0.76817E-02 1632 0.341E-01 0.217E-01 DAV: 3 -0.133403369112E+04 0.27614E-03 -0.18472E-03 1824 0.591E-02 0.134E-01 DAV: 4 -0.133403360283E+04 0.88288E-04 -0.10979E-03 1664 0.483E-02 0.520E-02 DAV: 5 -0.133403360962E+04 -0.67947E-05 -0.19356E-04 1344 0.227E-02 277 F= -.13529368E+04 E0= -.13529368E+04 d E =-.140821E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133400499076E+04 0.28612E-01 -0.28743E+01 1408 0.689E+00 0.148E+00 DAV: 2 -0.133406672568E+04 -0.61735E-01 -0.68774E-01 1632 0.102E+00 0.655E-01 DAV: 3 -0.133406406168E+04 0.26640E-02 -0.16742E-02 1888 0.175E-01 0.404E-01 DAV: 4 -0.133406288626E+04 0.11754E-02 -0.98771E-03 1632 0.143E-01 0.156E-01 DAV: 5 -0.133406289297E+04 -0.67073E-05 -0.18184E-03 1760 0.655E-02 0.754E-02 DAV: 6 -0.133406293416E+04 -0.41195E-04 -0.42684E-04 1536 0.275E-02 278 F= -.13529598E+04 E0= -.13529598E+04 d E =-.370026E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133407596857E+04 -0.13076E-01 -0.42295E+00 1408 0.264E+00 0.705E-01 DAV: 2 -0.133408506841E+04 -0.90998E-02 -0.10292E-01 1632 0.399E-01 0.285E-01 DAV: 3 -0.133408465733E+04 0.41108E-03 -0.28922E-03 1792 0.749E-02 0.156E-01 DAV: 4 -0.133408455067E+04 0.10666E-03 -0.11317E-03 1600 0.496E-02 0.563E-02 DAV: 5 -0.133408456640E+04 -0.15731E-04 -0.18163E-04 1248 0.223E-02 279 F= -.13529798E+04 E0= -.13529798E+04 d E =-.200942E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133408777410E+04 -0.32234E-02 -0.27476E+00 1408 0.214E+00 0.568E-01 DAV: 2 -0.133409368810E+04 -0.59140E-02 -0.66862E-02 1632 0.321E-01 0.233E-01 DAV: 3 -0.133409339248E+04 0.29562E-03 -0.18491E-03 1824 0.606E-02 0.126E-01 DAV: 4 -0.133409331089E+04 0.81588E-04 -0.75223E-04 1600 0.401E-02 280 F= -.13529874E+04 E0= -.13529874E+04 d E =-.276154E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133409396939E+04 -0.57691E-03 -0.42328E-01 1472 0.836E-01 0.232E-01 DAV: 2 -0.133409485556E+04 -0.88617E-03 -0.10406E-02 1632 0.127E-01 0.997E-02 DAV: 3 -0.133409480926E+04 0.46304E-04 -0.30703E-04 1504 0.259E-02 281 F= -.13529884E+04 E0= -.13529884E+04 d E =-.286394E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133410397794E+04 -0.91224E-02 -0.59682E+00 1408 0.312E+00 0.689E-01 DAV: 2 -0.133411652411E+04 -0.12546E-01 -0.13686E-01 1632 0.452E-01 0.322E-01 DAV: 3 -0.133411603241E+04 0.49169E-03 -0.34448E-03 1920 0.761E-02 0.194E-01 DAV: 4 -0.133411578989E+04 0.24252E-03 -0.17883E-03 1632 0.663E-02 0.596E-02 DAV: 5 -0.133411580792E+04 -0.18031E-04 -0.38662E-04 1600 0.280E-02 282 F= -.13530077E+04 E0= -.13530077E+04 d E =-.193392E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133408326310E+04 0.32527E-01 -0.25296E+01 1408 0.643E+00 0.142E+00 DAV: 2 -0.133413754840E+04 -0.54285E-01 -0.59062E-01 1632 0.938E-01 0.661E-01 DAV: 3 -0.133413533475E+04 0.22136E-02 -0.14389E-02 1888 0.158E-01 0.398E-01 DAV: 4 -0.133413414320E+04 0.11916E-02 -0.76819E-03 1632 0.139E-01 0.124E-01 DAV: 5 -0.133413420457E+04 -0.61372E-04 -0.17283E-03 1664 0.592E-02 0.833E-02 DAV: 6 -0.133413418989E+04 0.14686E-04 -0.35118E-04 1536 0.239E-02 283 F= -.13530228E+04 E0= -.13530228E+04 d E =-.344238E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133414303398E+04 -0.88294E-02 -0.20574E+00 1408 0.182E+00 0.322E-01 DAV: 2 -0.133414745313E+04 -0.44191E-02 -0.47475E-02 1632 0.264E-01 0.156E-01 DAV: 3 -0.133414735123E+04 0.10190E-03 -0.10747E-03 1824 0.414E-02 0.102E-01 DAV: 4 -0.133414731381E+04 0.37418E-04 -0.56937E-04 1536 0.377E-02 284 F= -.13530347E+04 E0= -.13530347E+04 d E =-.118862E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133414421534E+04 0.31359E-02 -0.18461E+01 1408 0.545E+00 0.949E-01 DAV: 2 -0.133418334736E+04 -0.39132E-01 -0.42155E-01 1600 0.786E-01 0.478E-01 DAV: 3 -0.133418217365E+04 0.11737E-02 -0.97033E-03 1920 0.124E-01 0.312E-01 DAV: 4 -0.133418144428E+04 0.72937E-03 -0.53704E-03 1632 0.112E-01 0.110E-01 DAV: 5 -0.133418151002E+04 -0.65748E-04 -0.10947E-03 1664 0.474E-02 0.629E-02 DAV: 6 -0.133418152558E+04 -0.15555E-04 -0.28891E-04 1568 0.213E-02 285 F= -.13530653E+04 E0= -.13530653E+04 d E =-.425077E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133406948901E+04 0.11202E+00 -0.73906E+01 1408 0.109E+01 0.192E+00 DAV: 2 -0.133422928576E+04 -0.15980E+00 -0.17188E+00 1600 0.158E+00 0.966E-01 DAV: 3 -0.133422437242E+04 0.49133E-02 -0.39483E-02 1920 0.248E-01 0.635E-01 DAV: 4 -0.133422101387E+04 0.33586E-02 -0.21290E-02 1664 0.221E-01 0.227E-01 DAV: 5 -0.133422120447E+04 -0.19061E-03 -0.42941E-03 1632 0.935E-02 0.128E-01 DAV: 6 -0.133422123697E+04 -0.32493E-04 -0.11021E-03 1664 0.413E-02 0.713E-02 DAV: 7 -0.133422125542E+04 -0.18456E-04 -0.11719E-04 1152 0.189E-02 286 F= -.13530985E+04 E0= -.13530985E+04 d E =-.756667E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133424254020E+04 -0.21303E-01 -0.92776E+00 1408 0.388E+00 0.881E-01 DAV: 2 -0.133426307639E+04 -0.20536E-01 -0.22578E-01 1664 0.586E-01 0.398E-01 DAV: 3 -0.133426219000E+04 0.88639E-03 -0.55789E-03 1824 0.100E-01 0.234E-01 DAV: 4 -0.133426180945E+04 0.38055E-03 -0.25651E-03 1664 0.767E-02 0.785E-02 DAV: 5 -0.133426182993E+04 -0.20484E-04 -0.48455E-04 1664 0.349E-02 287 F= -.13531368E+04 E0= -.13531368E+04 d E =-.383446E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133421916096E+04 0.42648E-01 -0.37041E+01 1408 0.776E+00 0.179E+00 DAV: 2 -0.133430134366E+04 -0.82183E-01 -0.90248E-01 1632 0.117E+00 0.798E-01 DAV: 3 -0.133429775131E+04 0.35923E-02 -0.22010E-02 1824 0.200E-01 0.467E-01 DAV: 4 -0.133429608672E+04 0.16646E-02 -0.10108E-02 1664 0.151E-01 0.156E-01 DAV: 5 -0.133429607448E+04 0.12243E-04 -0.19018E-03 1696 0.699E-02 0.845E-02 DAV: 6 -0.133429607608E+04 -0.15971E-05 -0.46683E-04 1600 0.296E-02 288 F= -.13531670E+04 E0= -.13531670E+04 d E =-.684913E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133430639123E+04 -0.10317E-01 -0.12740E+01 1408 0.452E+00 0.993E-01 DAV: 2 -0.133433415336E+04 -0.27762E-01 -0.30282E-01 1632 0.668E-01 0.457E-01 DAV: 3 -0.133433324743E+04 0.90593E-03 -0.77989E-03 1984 0.113E-01 0.274E-01 DAV: 4 -0.133433276216E+04 0.48527E-03 -0.39463E-03 1664 0.947E-02 0.971E-02 DAV: 5 -0.133433278929E+04 -0.27131E-04 -0.78138E-04 1664 0.424E-02 289 F= -.13532021E+04 E0= -.13532021E+04 d E =-.351623E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133430129897E+04 0.31463E-01 -0.33412E+01 1408 0.732E+00 0.161E+00 DAV: 2 -0.133437457836E+04 -0.73279E-01 -0.79922E-01 1632 0.108E+00 0.748E-01 DAV: 3 -0.133437209019E+04 0.24882E-02 -0.20349E-02 1952 0.184E-01 0.449E-01 DAV: 4 -0.133437075667E+04 0.13335E-02 -0.10635E-02 1632 0.155E-01 0.159E-01 DAV: 5 -0.133437078819E+04 -0.31513E-04 -0.20976E-03 1696 0.696E-02 0.873E-02 DAV: 6 -0.133437081298E+04 -0.24797E-04 -0.62230E-04 1536 0.332E-02 290 F= -.13532381E+04 E0= -.13532381E+04 d E =-.711120E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133408510634E+04 0.28568E+00 -0.13377E+02 1408 0.146E+01 0.325E+00 DAV: 2 -0.133438394103E+04 -0.29883E+00 -0.32588E+00 1632 0.218E+00 0.152E+00 DAV: 3 -0.133437343554E+04 0.10505E-01 -0.82733E-02 1856 0.370E-01 0.920E-01 DAV: 4 -0.133436757672E+04 0.58588E-02 -0.41454E-02 1664 0.310E-01 0.325E-01 DAV: 5 -0.133436770523E+04 -0.12851E-03 -0.84710E-03 1664 0.138E-01 0.184E-01 DAV: 6 -0.133436769296E+04 0.12271E-04 -0.23900E-03 1600 0.646E-02 0.888E-02 DAV: 7 -0.133436772490E+04 -0.31941E-04 -0.23388E-04 1408 0.299E-02 291 F= -.13532324E+04 E0= -.13532324E+04 d E =-.653933E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133429770392E+04 0.69989E-01 -0.40899E+01 1408 0.807E+00 0.182E+00 DAV: 2 -0.133438702096E+04 -0.89317E-01 -0.96773E-01 1664 0.119E+00 0.817E-01 DAV: 3 -0.133438408030E+04 0.29407E-02 -0.24474E-02 1888 0.202E-01 0.479E-01 DAV: 4 -0.133438274226E+04 0.13380E-02 -0.11247E-02 1632 0.157E-01 0.174E-01 DAV: 5 -0.133438284597E+04 -0.10371E-03 -0.21314E-03 1696 0.704E-02 0.857E-02 DAV: 6 -0.133438289401E+04 -0.48045E-04 -0.63742E-04 1536 0.330E-02 292 F= -.13532488E+04 E0= -.13532488E+04 d E =-.817777E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133439869779E+04 -0.15852E-01 -0.83743E+00 1408 0.364E+00 0.687E-01 DAV: 2 -0.133441646405E+04 -0.17766E-01 -0.19337E-01 1632 0.533E-01 0.335E-01 DAV: 3 -0.133441592380E+04 0.54025E-03 -0.49303E-03 1856 0.894E-02 0.212E-01 DAV: 4 -0.133441559243E+04 0.33137E-03 -0.26678E-03 1632 0.782E-02 0.817E-02 DAV: 5 -0.133441559187E+04 0.55904E-06 -0.51199E-04 1600 0.349E-02 293 F= -.13532811E+04 E0= -.13532811E+04 d E =-.323201E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133433035107E+04 0.85241E-01 -0.75507E+01 1408 0.109E+01 0.214E+00 DAV: 2 -0.133449468991E+04 -0.16434E+00 -0.17896E+00 1632 0.161E+00 0.100E+00 DAV: 3 -0.133448964473E+04 0.50452E-02 -0.45003E-02 1856 0.273E-01 0.634E-01 DAV: 4 -0.133448625374E+04 0.33910E-02 -0.23097E-02 1632 0.234E-01 0.248E-01 DAV: 5 -0.133448613786E+04 0.11588E-03 -0.46693E-03 1664 0.108E-01 0.134E-01 DAV: 6 -0.133448601586E+04 0.12200E-03 -0.19267E-03 1600 0.593E-02 0.626E-02 DAV: 7 -0.133448595433E+04 0.61535E-04 -0.16142E-04 1312 0.278E-02 294 F= -.13533511E+04 E0= -.13533511E+04 d E =-.102305E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133380641113E+04 0.67960E+00 -0.30186E+02 1408 0.217E+01 0.442E+00 DAV: 2 -0.133449246290E+04 -0.68605E+00 -0.75244E+00 1632 0.329E+00 0.206E+00 DAV: 3 -0.133446935890E+04 0.23104E-01 -0.19371E-01 1888 0.564E-01 0.133E+00 DAV: 4 -0.133445393050E+04 0.15428E-01 -0.92833E-02 1600 0.460E-01 0.554E-01 DAV: 5 -0.133445297754E+04 0.95296E-03 -0.18332E-02 1728 0.219E-01 0.283E-01 DAV: 6 -0.133445249971E+04 0.47782E-03 -0.71183E-03 1696 0.119E-01 0.129E-01 DAV: 7 -0.133445222800E+04 0.27171E-03 -0.74225E-04 1696 0.605E-02 0.697E-02 DAV: 8 -0.133445210933E+04 0.11868E-03 -0.21181E-04 1280 0.417E-02 0.291E-02 DAV: 9 -0.133445214446E+04 -0.35133E-04 -0.21459E-04 1472 0.307E-02 295 F= -.13533194E+04 E0= -.13533194E+04 d E =-.706156E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133424052072E+04 0.21159E+00 -0.12680E+02 1408 0.141E+01 0.273E+00 DAV: 2 -0.133451987933E+04 -0.27936E+00 -0.30261E+00 1664 0.210E+00 0.130E+00 DAV: 3 -0.133451040291E+04 0.94764E-02 -0.73465E-02 1856 0.353E-01 0.819E-01 DAV: 4 -0.133450482311E+04 0.55798E-02 -0.38085E-02 1568 0.300E-01 0.318E-01 DAV: 5 -0.133450477034E+04 0.52772E-04 -0.78886E-03 1696 0.138E-01 0.161E-01 DAV: 6 -0.133450466862E+04 0.10172E-03 -0.28962E-03 1664 0.706E-02 0.826E-02 DAV: 7 -0.133450458400E+04 0.84618E-04 -0.22872E-04 1440 0.318E-02 296 F= -.13533700E+04 E0= -.13533700E+04 d E =-.121288E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133452529038E+04 -0.20622E-01 -0.15713E+01 1408 0.497E+00 0.111E+00 DAV: 2 -0.133455952716E+04 -0.34237E-01 -0.37442E-01 1632 0.751E-01 0.527E-01 DAV: 3 -0.133455836929E+04 0.11579E-02 -0.92679E-03 1888 0.128E-01 0.322E-01 DAV: 4 -0.133455792409E+04 0.44521E-03 -0.47253E-03 1664 0.100E-01 0.110E-01 DAV: 5 -0.133455794040E+04 -0.16308E-04 -0.85313E-04 1696 0.453E-02 297 F= -.13534245E+04 E0= -.13534245E+04 d E =-.544424E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133449398980E+04 0.63934E-01 -0.46810E+01 1408 0.859E+00 0.195E+00 DAV: 2 -0.133459734736E+04 -0.10336E+00 -0.11317E+00 1632 0.130E+00 0.911E-01 DAV: 3 -0.133459366462E+04 0.36827E-02 -0.27936E-02 1920 0.223E-01 0.555E-01 DAV: 4 -0.133459203986E+04 0.16248E-02 -0.14297E-02 1632 0.177E-01 0.192E-01 DAV: 5 -0.133459200931E+04 0.30547E-04 -0.26467E-03 1696 0.813E-02 0.105E-01 DAV: 6 -0.133459203471E+04 -0.25403E-04 -0.80225E-04 1600 0.385E-02 298 F= -.13534608E+04 E0= -.13534608E+04 d E =-.907523E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133461256967E+04 -0.20560E-01 -0.80980E+00 1408 0.357E+00 0.935E-01 DAV: 2 -0.133463002297E+04 -0.17453E-01 -0.19586E-01 1664 0.540E-01 0.371E-01 DAV: 3 -0.133462930433E+04 0.71864E-03 -0.54969E-03 1952 0.999E-02 0.208E-01 DAV: 4 -0.133462903332E+04 0.27101E-03 -0.20650E-03 1664 0.665E-02 0.757E-02 DAV: 5 -0.133462904627E+04 -0.12954E-04 -0.33960E-04 1568 0.315E-02 299 F= -.13534991E+04 E0= -.13534991E+04 d E =-.382794E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133462632053E+04 0.27128E-02 -0.10833E+01 1408 0.413E+00 0.108E+00 DAV: 2 -0.133464958059E+04 -0.23260E-01 -0.26085E-01 1664 0.624E-01 0.434E-01 DAV: 3 -0.133464852037E+04 0.10602E-02 -0.72021E-03 1920 0.116E-01 0.241E-01 DAV: 4 -0.133464811690E+04 0.40347E-03 -0.28050E-03 1664 0.778E-02 0.865E-02 DAV: 5 -0.133464811705E+04 -0.14497E-06 -0.48569E-04 1664 0.374E-02 300 F= -.13535196E+04 E0= -.13535196E+04 d E =-.588296E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133464644795E+04 0.16690E-02 -0.12799E+00 1408 0.142E+00 0.381E-01 DAV: 2 -0.133464921772E+04 -0.27698E-02 -0.31095E-02 1664 0.215E-01 0.150E-01 DAV: 3 -0.133464910530E+04 0.11241E-03 -0.83515E-04 1856 0.401E-02 0.826E-02 DAV: 4 -0.133464907872E+04 0.26587E-04 -0.32956E-04 1504 0.272E-02 301 F= -.13535211E+04 E0= -.13535211E+04 d E =-.603012E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133465572466E+04 -0.66194E-02 -0.15728E+01 1408 0.501E+00 0.161E+00 DAV: 2 -0.133469005286E+04 -0.34328E-01 -0.37851E-01 1664 0.745E-01 0.482E-01 DAV: 3 -0.133468817166E+04 0.18812E-02 -0.10014E-02 1824 0.135E-01 0.259E-01 DAV: 4 -0.133468758025E+04 0.59141E-03 -0.46069E-03 1664 0.105E-01 0.921E-02 DAV: 5 -0.133468759948E+04 -0.19234E-04 -0.83857E-04 1696 0.421E-02 302 F= -.13535601E+04 E0= -.13535601E+04 d E =-.390064E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133468002227E+04 0.75580E-02 -0.70705E+00 1408 0.337E+00 0.109E+00 DAV: 2 -0.133469560306E+04 -0.15581E-01 -0.17184E-01 1664 0.501E-01 0.329E-01 DAV: 3 -0.133469471224E+04 0.89082E-03 -0.43983E-03 1824 0.912E-02 0.177E-01 DAV: 4 -0.133469443177E+04 0.28047E-03 -0.22087E-03 1664 0.732E-02 0.623E-02 DAV: 5 -0.133469443654E+04 -0.47727E-05 -0.41725E-04 1728 0.299E-02 303 F= -.13535673E+04 E0= -.13535673E+04 d E =-.461705E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133469526662E+04 -0.83485E-03 -0.99393E+00 1408 0.395E+00 0.118E+00 DAV: 2 -0.133471756174E+04 -0.22295E-01 -0.25916E-01 1664 0.615E-01 0.510E-01 DAV: 3 -0.133471618085E+04 0.13809E-02 -0.76562E-03 1888 0.118E-01 0.254E-01 DAV: 4 -0.133471569703E+04 0.48382E-03 -0.26708E-03 1632 0.734E-02 0.895E-02 DAV: 5 -0.133471565385E+04 0.43182E-04 -0.47137E-04 1696 0.357E-02 304 F= -.13535896E+04 E0= -.13535896E+04 d E =-.223273E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133471524848E+04 0.44855E-03 -0.27985E-01 1504 0.661E-01 0.207E-01 DAV: 2 -0.133471587956E+04 -0.63109E-03 -0.73735E-03 1664 0.103E-01 0.841E-02 DAV: 3 -0.133471584603E+04 0.33536E-04 -0.19809E-04 1408 0.201E-02 305 F= -.13535900E+04 E0= -.13535900E+04 d E =-.226975E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133472374899E+04 -0.78694E-02 -0.51487E+00 1408 0.290E+00 0.881E-01 DAV: 2 -0.133473490606E+04 -0.11157E-01 -0.12594E-01 1632 0.438E-01 0.317E-01 DAV: 3 -0.133473434153E+04 0.56453E-03 -0.37394E-03 1760 0.825E-02 0.176E-01 DAV: 4 -0.133473421317E+04 0.12836E-03 -0.17851E-03 1632 0.642E-02 0.617E-02 DAV: 5 -0.133473422659E+04 -0.13424E-04 -0.33403E-04 1600 0.273E-02 306 F= -.13536101E+04 E0= -.13536101E+04 d E =-.201231E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133472599293E+04 0.82202E-02 -0.70959E+00 1408 0.341E+00 0.104E+00 DAV: 2 -0.133474158351E+04 -0.15591E-01 -0.17553E-01 1664 0.517E-01 0.372E-01 DAV: 3 -0.133474075670E+04 0.82681E-03 -0.50922E-03 1824 0.975E-02 0.205E-01 DAV: 4 -0.133474053887E+04 0.21783E-03 -0.25348E-03 1664 0.764E-02 0.735E-02 DAV: 5 -0.133474053446E+04 0.44147E-05 -0.48563E-04 1696 0.327E-02 307 F= -.13536184E+04 E0= -.13536184E+04 d E =-.284417E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133475009558E+04 -0.95567E-02 -0.32010E+00 1408 0.227E+00 0.523E-01 DAV: 2 -0.133475688788E+04 -0.67923E-02 -0.77904E-02 1664 0.346E-01 0.248E-01 DAV: 3 -0.133475659578E+04 0.29210E-03 -0.22929E-03 1792 0.656E-02 0.142E-01 DAV: 4 -0.133475649715E+04 0.98630E-04 -0.11046E-03 1632 0.487E-02 0.555E-02 DAV: 5 -0.133475649449E+04 0.26602E-05 -0.15497E-04 1312 0.225E-02 308 F= -.13536353E+04 E0= -.13536353E+04 d E =-.168947E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133473995503E+04 0.16542E-01 -0.14489E+01 1408 0.482E+00 0.110E+00 DAV: 2 -0.133477049353E+04 -0.30538E-01 -0.35024E-01 1664 0.735E-01 0.532E-01 DAV: 3 -0.133476908978E+04 0.14038E-02 -0.10377E-02 1824 0.138E-01 0.303E-01 DAV: 4 -0.133476849042E+04 0.59935E-03 -0.48914E-03 1600 0.102E-01 0.117E-01 DAV: 5 -0.133476844875E+04 0.41674E-04 -0.77549E-04 1792 0.475E-02 309 F= -.13536492E+04 E0= -.13536492E+04 d E =-.307755E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133477266053E+04 -0.41701E-02 -0.62234E+00 1408 0.313E+00 0.775E-01 DAV: 2 -0.133478622689E+04 -0.13566E-01 -0.14904E-01 1664 0.470E-01 0.313E-01 DAV: 3 -0.133478565572E+04 0.57117E-03 -0.41547E-03 1824 0.874E-02 0.176E-01 DAV: 4 -0.133478549376E+04 0.16196E-03 -0.17518E-03 1632 0.623E-02 0.636E-02 DAV: 5 -0.133478549475E+04 -0.98954E-06 -0.31354E-04 1504 0.282E-02 310 F= -.13536684E+04 E0= -.13536684E+04 d E =-.192331E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133476561616E+04 0.19878E-01 -0.13437E+01 1408 0.460E+00 0.114E+00 DAV: 2 -0.133479476312E+04 -0.29147E-01 -0.32008E-01 1664 0.689E-01 0.461E-01 DAV: 3 -0.133479349695E+04 0.12662E-02 -0.89595E-03 1824 0.127E-01 0.258E-01 DAV: 4 -0.133479308567E+04 0.41128E-03 -0.36469E-03 1664 0.900E-02 0.918E-02 DAV: 5 -0.133479308205E+04 0.36276E-05 -0.66840E-04 1696 0.405E-02 311 F= -.13536792E+04 E0= -.13536792E+04 d E =-.299874E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133479462002E+04 -0.15343E-02 -0.88049E+00 1408 0.372E+00 0.101E+00 DAV: 2 -0.133481313068E+04 -0.18511E-01 -0.20466E-01 1632 0.548E-01 0.359E-01 DAV: 3 -0.133481225613E+04 0.87455E-03 -0.58189E-03 1824 0.982E-02 0.193E-01 DAV: 4 -0.133481192509E+04 0.33104E-03 -0.22141E-03 1696 0.752E-02 0.676E-02 DAV: 5 -0.133481193830E+04 -0.13208E-04 -0.43784E-04 1632 0.305E-02 312 F= -.13536996E+04 E0= -.13536996E+04 d E =-.204570E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133480710011E+04 0.48250E-02 -0.38200E+00 1408 0.245E+00 0.675E-01 DAV: 2 -0.133481516714E+04 -0.80670E-02 -0.89433E-02 1632 0.362E-01 0.242E-01 DAV: 3 -0.133481474272E+04 0.42442E-03 -0.25112E-03 1824 0.658E-02 0.131E-01 DAV: 4 -0.133481458663E+04 0.15609E-03 -0.10475E-03 1632 0.520E-02 0.457E-02 DAV: 5 -0.133481459424E+04 -0.76168E-05 -0.20659E-04 1472 0.213E-02 313 F= -.13537033E+04 E0= -.13537033E+04 d E =-.241468E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133482093411E+04 -0.63475E-02 -0.50756E+00 1408 0.285E+00 0.701E-01 DAV: 2 -0.133483160276E+04 -0.10669E-01 -0.11800E-01 1632 0.423E-01 0.268E-01 DAV: 3 -0.133483120316E+04 0.39960E-03 -0.33385E-03 1792 0.745E-02 0.146E-01 DAV: 4 -0.133483108203E+04 0.12113E-03 -0.12110E-03 1632 0.521E-02 0.543E-02 DAV: 5 -0.133483109164E+04 -0.96130E-05 -0.19009E-04 1376 0.229E-02 314 F= -.13537203E+04 E0= -.13537203E+04 d E =-.170177E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133479246995E+04 0.38612E-01 -0.26507E+01 1408 0.651E+00 0.160E+00 DAV: 2 -0.133484790933E+04 -0.55439E-01 -0.61427E-01 1632 0.966E-01 0.614E-01 DAV: 3 -0.133484576317E+04 0.21462E-02 -0.17444E-02 1856 0.169E-01 0.334E-01 DAV: 4 -0.133484492614E+04 0.83703E-03 -0.61897E-03 1632 0.118E-01 0.123E-01 DAV: 5 -0.133484492749E+04 -0.13479E-05 -0.10579E-03 1856 0.520E-02 0.665E-02 DAV: 6 -0.133484496379E+04 -0.36295E-04 -0.25405E-04 1504 0.220E-02 315 F= -.13537354E+04 E0= -.13537354E+04 d E =-.320678E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133484744815E+04 -0.25207E-02 -0.79569E+00 1408 0.355E+00 0.728E-01 DAV: 2 -0.133486396244E+04 -0.16514E-01 -0.18589E-01 1664 0.536E-01 0.313E-01 DAV: 3 -0.133486348475E+04 0.47768E-03 -0.55113E-03 1824 0.907E-02 0.185E-01 DAV: 4 -0.133486328205E+04 0.20270E-03 -0.18294E-03 1696 0.643E-02 0.747E-02 DAV: 5 -0.133486331313E+04 -0.31074E-04 -0.30757E-04 1568 0.288E-02 316 F= -.13537551E+04 E0= -.13537551E+04 d E =-.197265E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133484724741E+04 0.16035E-01 -0.11098E+01 1408 0.419E+00 0.860E-01 DAV: 2 -0.133487025647E+04 -0.23009E-01 -0.25919E-01 1664 0.633E-01 0.372E-01 DAV: 3 -0.133486953315E+04 0.72332E-03 -0.75568E-03 1824 0.107E-01 0.220E-01 DAV: 4 -0.133486921518E+04 0.31797E-03 -0.26369E-03 1728 0.770E-02 0.878E-02 DAV: 5 -0.133486923501E+04 -0.19824E-04 -0.44206E-04 1600 0.347E-02 317 F= -.13537627E+04 E0= -.13537627E+04 d E =-.272830E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133486986723E+04 -0.65205E-03 -0.84126E+00 1408 0.363E+00 0.797E-01 DAV: 2 -0.133488732394E+04 -0.17457E-01 -0.19289E-01 1632 0.540E-01 0.304E-01 DAV: 3 -0.133488680610E+04 0.51785E-03 -0.55625E-03 1792 0.905E-02 0.189E-01 DAV: 4 -0.133488653919E+04 0.26690E-03 -0.22337E-03 1696 0.758E-02 0.740E-02 DAV: 5 -0.133488655808E+04 -0.18890E-04 -0.44985E-04 1696 0.322E-02 318 F= -.13537813E+04 E0= -.13537813E+04 d E =-.186672E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133484117972E+04 0.45359E-01 -0.28064E+01 1408 0.664E+00 0.145E+00 DAV: 2 -0.133489961040E+04 -0.58431E-01 -0.64524E-01 1664 0.988E-01 0.557E-01 DAV: 3 -0.133489775828E+04 0.18521E-02 -0.18620E-02 1792 0.166E-01 0.348E-01 DAV: 4 -0.133489666935E+04 0.10889E-02 -0.74309E-03 1728 0.139E-01 0.137E-01 DAV: 5 -0.133489668660E+04 -0.17257E-04 -0.15385E-03 1760 0.590E-02 0.756E-02 DAV: 6 -0.133489668011E+04 0.64913E-05 -0.45411E-04 1600 0.276E-02 319 F= -.13537939E+04 E0= -.13537939E+04 d E =-.312505E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133490182847E+04 -0.51419E-02 -0.45966E+00 1408 0.267E+00 0.599E-01 DAV: 2 -0.133491144426E+04 -0.96158E-02 -0.10723E-01 1664 0.401E-01 0.258E-01 DAV: 3 -0.133491117323E+04 0.27103E-03 -0.31656E-03 1824 0.681E-02 0.147E-01 DAV: 4 -0.133491106352E+04 0.10972E-03 -0.10132E-03 1632 0.478E-02 0.554E-02 DAV: 5 -0.133491108184E+04 -0.18323E-04 -0.15740E-04 1216 0.220E-02 320 F= -.13538092E+04 E0= -.13538092E+04 d E =-.152712E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133487127504E+04 0.39788E-01 -0.27108E+01 1408 0.648E+00 0.144E+00 DAV: 2 -0.133492791655E+04 -0.56642E-01 -0.63303E-01 1664 0.975E-01 0.637E-01 DAV: 3 -0.133492603735E+04 0.18792E-02 -0.18478E-02 1856 0.166E-01 0.360E-01 DAV: 4 -0.133492511252E+04 0.92483E-03 -0.61889E-03 1664 0.117E-01 0.136E-01 DAV: 5 -0.133492508844E+04 0.24083E-04 -0.10790E-03 1760 0.545E-02 0.611E-02 DAV: 6 -0.133492513626E+04 -0.47821E-04 -0.28469E-04 1568 0.240E-02 321 F= -.13538254E+04 E0= -.13538254E+04 d E =-.314747E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133492852181E+04 -0.34334E-02 -0.53553E+00 1408 0.290E+00 0.685E-01 DAV: 2 -0.133493999211E+04 -0.11470E-01 -0.12582E-01 1664 0.442E-01 0.277E-01 DAV: 3 -0.133493968614E+04 0.30597E-03 -0.36027E-03 1792 0.739E-02 0.157E-01 DAV: 4 -0.133493960096E+04 0.85181E-04 -0.10799E-03 1600 0.519E-02 0.568E-02 DAV: 5 -0.133493964873E+04 -0.47769E-04 -0.20077E-04 1344 0.240E-02 322 F= -.13538410E+04 E0= -.13538410E+04 d E =-.156502E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133492029321E+04 0.19308E-01 -0.13099E+01 1408 0.453E+00 0.107E+00 DAV: 2 -0.133494821704E+04 -0.27924E-01 -0.30721E-01 1664 0.690E-01 0.439E-01 DAV: 3 -0.133494730643E+04 0.91062E-03 -0.87510E-03 1792 0.116E-01 0.247E-01 DAV: 4 -0.133494693135E+04 0.37508E-03 -0.27863E-03 1696 0.823E-02 0.880E-02 DAV: 5 -0.133494696186E+04 -0.30516E-04 -0.54045E-04 1696 0.374E-02 323 F= -.13538502E+04 E0= -.13538502E+04 d E =-.247938E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133494809858E+04 -0.11672E-02 -0.68651E+00 1408 0.327E+00 0.667E-01 DAV: 2 -0.133496234610E+04 -0.14248E-01 -0.15624E-01 1632 0.492E-01 0.293E-01 DAV: 3 -0.133496199933E+04 0.34677E-03 -0.42778E-03 1760 0.775E-02 0.176E-01 DAV: 4 -0.133496184174E+04 0.15759E-03 -0.13670E-03 1696 0.582E-02 0.597E-02 DAV: 5 -0.133496188311E+04 -0.41369E-04 -0.25824E-04 1568 0.242E-02 324 F= -.13538664E+04 E0= -.13538664E+04 d E =-.162182E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133492129531E+04 0.40546E-01 -0.25035E+01 1408 0.624E+00 0.126E+00 DAV: 2 -0.133497315440E+04 -0.51859E-01 -0.56772E-01 1664 0.937E-01 0.561E-01 DAV: 3 -0.133497178541E+04 0.13690E-02 -0.15565E-02 1760 0.148E-01 0.336E-01 DAV: 4 -0.133497105186E+04 0.73355E-03 -0.49921E-03 1696 0.111E-01 0.113E-01 DAV: 5 -0.133497114694E+04 -0.95071E-04 -0.96481E-04 1696 0.456E-02 325 F= -.13538783E+04 E0= -.13538783E+04 d E =-.281093E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133496826978E+04 0.27821E-02 -0.88021E+00 1408 0.369E+00 0.835E-01 DAV: 2 -0.133498680331E+04 -0.18534E-01 -0.20274E-01 1632 0.558E-01 0.320E-01 DAV: 3 -0.133498633863E+04 0.46468E-03 -0.55675E-03 1792 0.889E-02 0.188E-01 DAV: 4 -0.133498615037E+04 0.18826E-03 -0.16884E-03 1696 0.641E-02 0.631E-02 DAV: 5 -0.133498620565E+04 -0.55280E-04 -0.31505E-04 1600 0.271E-02 326 F= -.13538968E+04 E0= -.13538968E+04 d E =-.185151E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133494438102E+04 0.41769E-01 -0.23713E+01 1408 0.605E+00 0.136E+00 DAV: 2 -0.133499429729E+04 -0.49916E-01 -0.54494E-01 1632 0.915E-01 0.526E-01 DAV: 3 -0.133499291334E+04 0.13839E-02 -0.14977E-02 1792 0.145E-01 0.309E-01 DAV: 4 -0.133499222762E+04 0.68573E-03 -0.45459E-03 1696 0.105E-01 0.104E-01 DAV: 5 -0.133499232662E+04 -0.99008E-04 -0.87811E-04 1696 0.446E-02 327 F= -.13539088E+04 E0= -.13539088E+04 d E =-.304788E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133498058714E+04 0.11640E-01 -0.11463E+01 1408 0.423E+00 0.111E+00 DAV: 2 -0.133500541737E+04 -0.24830E-01 -0.27205E-01 1664 0.651E-01 0.412E-01 DAV: 3 -0.133500466080E+04 0.75657E-03 -0.77063E-03 1728 0.110E-01 0.234E-01 DAV: 4 -0.133500443305E+04 0.22775E-03 -0.23977E-03 1728 0.776E-02 0.892E-02 DAV: 5 -0.133500449757E+04 -0.64521E-04 -0.44838E-04 1632 0.338E-02 328 F= -.13539263E+04 E0= -.13539263E+04 d E =-.175213E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133499853101E+04 0.59020E-02 -0.25972E+00 1408 0.201E+00 0.540E-01 DAV: 2 -0.133500417549E+04 -0.56445E-02 -0.61822E-02 1664 0.310E-01 0.199E-01 DAV: 3 -0.133500400536E+04 0.17013E-03 -0.17362E-03 1664 0.529E-02 0.110E-01 DAV: 4 -0.133500397617E+04 0.29189E-04 -0.53476E-04 1600 0.376E-02 329 F= -.13539283E+04 E0= -.13539283E+04 d E =-.195703E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133500539340E+04 -0.13880E-02 -0.44350E+00 1408 0.264E+00 0.646E-01 DAV: 2 -0.133501507161E+04 -0.96782E-02 -0.10912E-01 1664 0.418E-01 0.285E-01 DAV: 3 -0.133501477194E+04 0.29967E-03 -0.31693E-03 1728 0.732E-02 0.164E-01 DAV: 4 -0.133501470220E+04 0.69744E-04 -0.11109E-03 1632 0.479E-02 0.609E-02 DAV: 5 -0.133501472182E+04 -0.19626E-04 -0.16416E-04 1216 0.244E-02 330 F= -.13539418E+04 E0= -.13539418E+04 d E =-.134663E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133501281070E+04 0.18915E-02 -0.26433E+00 1408 0.204E+00 0.501E-01 DAV: 2 -0.133501860361E+04 -0.57929E-02 -0.65076E-02 1696 0.322E-01 0.218E-01 DAV: 3 -0.133501842058E+04 0.18303E-03 -0.18521E-03 1696 0.558E-02 0.124E-01 DAV: 4 -0.133501838100E+04 0.39576E-04 -0.63614E-04 1600 0.361E-02 331 F= -.13539476E+04 E0= -.13539476E+04 d E =-.192446E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133499126054E+04 0.27160E-01 -0.10583E+01 1408 0.408E+00 0.999E-01 DAV: 2 -0.133501430341E+04 -0.23043E-01 -0.26062E-01 1696 0.647E-01 0.445E-01 DAV: 3 -0.133501349785E+04 0.80555E-03 -0.75667E-03 1696 0.114E-01 0.254E-01 DAV: 4 -0.133501324255E+04 0.25530E-03 -0.26685E-03 1696 0.741E-02 0.940E-02 DAV: 5 -0.133501325608E+04 -0.13533E-04 -0.44948E-04 1600 0.386E-02 332 F= -.13539467E+04 E0= -.13539467E+04 d E =-.184022E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133501063088E+04 0.26117E-02 -0.37690E+00 1408 0.244E+00 0.587E-01 DAV: 2 -0.133501888245E+04 -0.82516E-02 -0.92111E-02 1728 0.386E-01 0.258E-01 DAV: 3 -0.133501860639E+04 0.27606E-03 -0.26636E-03 1728 0.663E-02 0.148E-01 DAV: 4 -0.133501856003E+04 0.46360E-04 -0.92112E-04 1664 0.434E-02 333 F= -.13539495E+04 E0= -.13539495E+04 d E =-.211444E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133502297627E+04 -0.43699E-02 -0.32845E+00 1408 0.230E+00 0.459E-01 DAV: 2 -0.133502993879E+04 -0.69625E-02 -0.77521E-02 1696 0.352E-01 0.205E-01 DAV: 3 -0.133502970683E+04 0.23196E-03 -0.20378E-03 1728 0.573E-02 0.125E-01 DAV: 4 -0.133502960776E+04 0.99068E-04 -0.82203E-04 1600 0.446E-02 334 F= -.13539620E+04 E0= -.13539620E+04 d E =-.125065E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133502085174E+04 0.88551E-02 -0.10163E+01 1408 0.404E+00 0.828E-01 DAV: 2 -0.133504211055E+04 -0.21259E-01 -0.24068E-01 1664 0.621E-01 0.373E-01 DAV: 3 -0.133504134199E+04 0.76856E-03 -0.65596E-03 1728 0.106E-01 0.226E-01 DAV: 4 -0.133504103354E+04 0.30845E-03 -0.27990E-03 1664 0.817E-02 0.909E-02 DAV: 5 -0.133504104317E+04 -0.96259E-05 -0.58101E-04 1664 0.392E-02 335 F= -.13539760E+04 E0= -.13539760E+04 d E =-.265453E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133495346070E+04 0.87573E-01 -0.40639E+01 1408 0.808E+00 0.164E+00 DAV: 2 -0.133503947058E+04 -0.86010E-01 -0.96412E-01 1664 0.124E+00 0.732E-01 DAV: 3 -0.133503642696E+04 0.30436E-02 -0.25604E-02 1728 0.209E-01 0.445E-01 DAV: 4 -0.133503503186E+04 0.13951E-02 -0.10706E-02 1664 0.160E-01 0.176E-01 DAV: 5 -0.133503504064E+04 -0.87777E-05 -0.22187E-03 1728 0.761E-02 0.769E-02 DAV: 6 -0.133503509057E+04 -0.49928E-04 -0.43252E-04 1632 0.289E-02 336 F= -.13539754E+04 E0= -.13539754E+04 d E =-.259450E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133501895188E+04 0.16089E-01 -0.12222E+01 1408 0.443E+00 0.880E-01 DAV: 2 -0.133504472220E+04 -0.25770E-01 -0.28880E-01 1696 0.680E-01 0.406E-01 DAV: 3 -0.133504377520E+04 0.94700E-03 -0.76710E-03 1760 0.113E-01 0.250E-01 DAV: 4 -0.133504343547E+04 0.33973E-03 -0.32819E-03 1664 0.870E-02 0.968E-02 DAV: 5 -0.133504347563E+04 -0.40161E-04 -0.65715E-04 1696 0.408E-02 337 F= -.13539809E+04 E0= -.13539809E+04 d E =-.313694E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133503785277E+04 0.55827E-02 -0.95899E+00 1408 0.399E+00 0.956E-01 DAV: 2 -0.133505851275E+04 -0.20660E-01 -0.22730E-01 1664 0.607E-01 0.395E-01 DAV: 3 -0.133505754280E+04 0.96995E-03 -0.56494E-03 1728 0.101E-01 0.236E-01 DAV: 4 -0.133505720028E+04 0.34253E-03 -0.30014E-03 1632 0.847E-02 0.777E-02 DAV: 5 -0.133505721003E+04 -0.97559E-05 -0.57637E-04 1696 0.371E-02 338 F= -.13539972E+04 E0= -.13539972E+04 d E =-.163411E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133504004470E+04 0.17156E-01 -0.93458E+00 1408 0.394E+00 0.966E-01 DAV: 2 -0.133506037245E+04 -0.20328E-01 -0.22379E-01 1664 0.602E-01 0.392E-01 DAV: 3 -0.133505948389E+04 0.88856E-03 -0.55054E-03 1696 0.101E-01 0.233E-01 DAV: 4 -0.133505920387E+04 0.28001E-03 -0.29767E-03 1728 0.847E-02 0.774E-02 DAV: 5 -0.133505921593E+04 -0.12054E-04 -0.58199E-04 1696 0.375E-02 339 F= -.13540018E+04 E0= -.13540018E+04 d E =-.209639E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133505016825E+04 0.90356E-02 -0.10552E+01 1408 0.417E+00 0.821E-01 DAV: 2 -0.133507312952E+04 -0.22961E-01 -0.25116E-01 1664 0.634E-01 0.384E-01 DAV: 3 -0.133507224960E+04 0.87992E-03 -0.55880E-03 1664 0.103E-01 0.226E-01 DAV: 4 -0.133507195398E+04 0.29562E-03 -0.25712E-03 1664 0.770E-02 0.836E-02 DAV: 5 -0.133507197852E+04 -0.24546E-04 -0.51204E-04 1632 0.372E-02 340 F= -.13540175E+04 E0= -.13540175E+04 d E =-.156975E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133504882748E+04 0.23126E-01 -0.12271E+01 1408 0.449E+00 0.890E-01 DAV: 2 -0.133507538630E+04 -0.26559E-01 -0.29082E-01 1664 0.683E-01 0.414E-01 DAV: 3 -0.133507437681E+04 0.10095E-02 -0.64784E-03 1664 0.110E-01 0.242E-01 DAV: 4 -0.133507403342E+04 0.34339E-03 -0.29111E-03 1632 0.819E-02 0.891E-02 DAV: 5 -0.133507406521E+04 -0.31790E-04 -0.58190E-04 1696 0.398E-02 341 F= -.13540228E+04 E0= -.13540228E+04 d E =-.210032E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133506218480E+04 0.11849E-01 -0.13333E+01 1408 0.471E+00 0.101E+00 DAV: 2 -0.133509055118E+04 -0.28366E-01 -0.30895E-01 1632 0.702E-01 0.403E-01 DAV: 3 -0.133508943046E+04 0.11207E-02 -0.66325E-03 1696 0.115E-01 0.241E-01 DAV: 4 -0.133508909209E+04 0.33837E-03 -0.37452E-03 1664 0.948E-02 0.893E-02 DAV: 5 -0.133508914063E+04 -0.48542E-04 -0.70829E-04 1696 0.405E-02 342 F= -.13540411E+04 E0= -.13540411E+04 d E =-.182842E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133505849832E+04 0.30594E-01 -0.16955E+01 1408 0.531E+00 0.114E+00 DAV: 2 -0.133509473584E+04 -0.36238E-01 -0.39463E-01 1632 0.792E-01 0.460E-01 DAV: 3 -0.133509322666E+04 0.15092E-02 -0.84385E-03 1664 0.130E-01 0.275E-01 DAV: 4 -0.133509273646E+04 0.49020E-03 -0.49641E-03 1664 0.109E-01 0.102E-01 DAV: 5 -0.133509277573E+04 -0.39269E-04 -0.94734E-04 1696 0.468E-02 343 F= -.13540484E+04 E0= -.13540484E+04 d E =-.255492E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133508049410E+04 0.12242E-01 -0.12961E+01 1408 0.463E+00 0.926E-01 DAV: 2 -0.133510805974E+04 -0.27566E-01 -0.30233E-01 1632 0.687E-01 0.423E-01 DAV: 3 -0.133510685582E+04 0.12039E-02 -0.64256E-03 1760 0.115E-01 0.258E-01 DAV: 4 -0.133510644705E+04 0.40876E-03 -0.42401E-03 1632 0.977E-02 0.994E-02 DAV: 5 -0.133510646282E+04 -0.15769E-04 -0.81896E-04 1760 0.438E-02 344 F= -.13540657E+04 E0= -.13540657E+04 d E =-.173472E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133504182595E+04 0.64621E-01 -0.32863E+01 1408 0.737E+00 0.147E+00 DAV: 2 -0.133511176862E+04 -0.69943E-01 -0.76738E-01 1664 0.109E+00 0.676E-01 DAV: 3 -0.133510864495E+04 0.31237E-02 -0.16273E-02 1760 0.181E-01 0.413E-01 DAV: 4 -0.133510745553E+04 0.11894E-02 -0.10670E-02 1568 0.155E-01 0.158E-01 DAV: 5 -0.133510746053E+04 -0.49984E-05 -0.20540E-03 1728 0.695E-02 0.794E-02 DAV: 6 -0.133510752727E+04 -0.66744E-04 -0.49931E-04 1536 0.298E-02 345 F= -.13540727E+04 E0= -.13540727E+04 d E =-.243345E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133510570772E+04 0.17528E-02 -0.21802E+00 1408 0.190E+00 0.370E-01 DAV: 2 -0.133511031335E+04 -0.46056E-02 -0.50071E-02 1696 0.280E-01 0.175E-01 DAV: 3 -0.133511012904E+04 0.18431E-03 -0.10865E-03 1728 0.465E-02 0.106E-01 DAV: 4 -0.133511012282E+04 0.62212E-05 -0.68500E-04 1568 0.388E-02 346 F= -.13540738E+04 E0= -.13540738E+04 d E =-.253902E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133510557227E+04 0.45568E-02 -0.87782E+00 1408 0.380E+00 0.782E-01 DAV: 2 -0.133512419006E+04 -0.18618E-01 -0.20590E-01 1632 0.564E-01 0.356E-01 DAV: 3 -0.133512323191E+04 0.95815E-03 -0.44384E-03 1760 0.971E-02 0.209E-01 DAV: 4 -0.133512291116E+04 0.32075E-03 -0.28105E-03 1664 0.782E-02 0.813E-02 DAV: 5 -0.133512290575E+04 0.54046E-05 -0.55948E-04 1664 0.360E-02 347 F= -.13540879E+04 E0= -.13540879E+04 d E =-.141846E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133511120090E+04 0.11710E-01 -0.75199E+00 1408 0.351E+00 0.736E-01 DAV: 2 -0.133512710391E+04 -0.15903E-01 -0.17716E-01 1632 0.523E-01 0.334E-01 DAV: 3 -0.133512627726E+04 0.82665E-03 -0.38517E-03 1728 0.923E-02 0.196E-01 DAV: 4 -0.133512603531E+04 0.24195E-03 -0.25245E-03 1664 0.737E-02 0.791E-02 DAV: 5 -0.133512602770E+04 0.76063E-05 -0.52822E-04 1664 0.350E-02 348 F= -.13540924E+04 E0= -.13540924E+04 d E =-.186275E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133512052406E+04 0.55112E-02 -0.12157E+01 1408 0.446E+00 0.961E-01 DAV: 2 -0.133514595415E+04 -0.25430E-01 -0.28287E-01 1664 0.651E-01 0.397E-01 DAV: 3 -0.133514459919E+04 0.13550E-02 -0.60310E-03 1728 0.114E-01 0.239E-01 DAV: 4 -0.133514422894E+04 0.37025E-03 -0.48952E-03 1664 0.998E-02 0.985E-02 DAV: 5 -0.133514420227E+04 0.26668E-04 -0.90785E-04 1760 0.441E-02 349 F= -.13541098E+04 E0= -.13541098E+04 d E =-.173726E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133510913791E+04 0.35091E-01 -0.22919E+01 1408 0.613E+00 0.133E+00 DAV: 2 -0.133515723106E+04 -0.48093E-01 -0.53550E-01 1664 0.895E-01 0.547E-01 DAV: 3 -0.133515463304E+04 0.25980E-02 -0.11526E-02 1728 0.158E-01 0.328E-01 DAV: 4 -0.133515388539E+04 0.74765E-03 -0.93311E-03 1664 0.138E-01 0.136E-01 DAV: 5 -0.133515381904E+04 0.66346E-04 -0.17105E-03 1728 0.609E-02 0.708E-02 DAV: 6 -0.133515385838E+04 -0.39341E-04 -0.41956E-04 1504 0.253E-02 350 F= -.13541184E+04 E0= -.13541184E+04 d E =-.259756E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133514930180E+04 0.45172E-02 -0.10471E+01 1408 0.411E+00 0.805E-01 DAV: 2 -0.133517131788E+04 -0.22016E-01 -0.24684E-01 1632 0.605E-01 0.393E-01 DAV: 3 -0.133517027402E+04 0.10439E-02 -0.53219E-03 1728 0.106E-01 0.226E-01 DAV: 4 -0.133516995334E+04 0.32068E-03 -0.35120E-03 1664 0.832E-02 0.985E-02 DAV: 5 -0.133516994314E+04 0.10196E-04 -0.70566E-04 1696 0.390E-02 351 F= -.13541346E+04 E0= -.13541346E+04 d E =-.162451E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133504364174E+04 0.12631E+00 -0.69027E+01 1408 0.106E+01 0.207E+00 DAV: 2 -0.133518906604E+04 -0.14542E+00 -0.16304E+00 1632 0.155E+00 0.102E+00 DAV: 3 -0.133518181219E+04 0.72538E-02 -0.35725E-02 1728 0.274E-01 0.580E-01 DAV: 4 -0.133517931999E+04 0.24922E-02 -0.23122E-02 1632 0.213E-01 0.251E-01 DAV: 5 -0.133517911562E+04 0.20436E-03 -0.45977E-03 1824 0.998E-02 0.119E-01 DAV: 6 -0.133517923703E+04 -0.12141E-03 -0.95939E-04 1600 0.411E-02 0.447E-02 DAV: 7 -0.133517927969E+04 -0.42657E-04 -0.80854E-05 1120 0.154E-02 352 F= -.13541445E+04 E0= -.13541445E+04 d E =-.261130E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133517024491E+04 0.89921E-02 -0.58879E+00 1408 0.308E+00 0.601E-01 DAV: 2 -0.133518261069E+04 -0.12366E-01 -0.13844E-01 1664 0.451E-01 0.299E-01 DAV: 3 -0.133518201769E+04 0.59301E-03 -0.30189E-03 1760 0.794E-02 0.173E-01 DAV: 4 -0.133518188061E+04 0.13708E-03 -0.18247E-03 1632 0.598E-02 0.717E-02 DAV: 5 -0.133518189461E+04 -0.14009E-04 -0.37308E-04 1472 0.290E-02 353 F= -.13541469E+04 E0= -.13541469E+04 d E =-.285545E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133516042615E+04 0.21454E-01 -0.20190E+01 1408 0.571E+00 0.108E+00 DAV: 2 -0.133520257842E+04 -0.42152E-01 -0.46330E-01 1632 0.822E-01 0.498E-01 DAV: 3 -0.133520045026E+04 0.21282E-02 -0.91967E-03 1760 0.139E-01 0.312E-01 DAV: 4 -0.133519960789E+04 0.84237E-03 -0.85057E-03 1664 0.137E-01 0.129E-01 DAV: 5 -0.133519956193E+04 0.45962E-04 -0.16654E-03 1696 0.578E-02 0.726E-02 DAV: 6 -0.133519955356E+04 0.83645E-05 -0.45590E-04 1536 0.256E-02 354 F= -.13541636E+04 E0= -.13541636E+04 d E =-.166638E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133519685135E+04 0.27106E-02 -0.31652E+00 1408 0.226E+00 0.442E-01 DAV: 2 -0.133520349479E+04 -0.66434E-02 -0.73070E-02 1600 0.327E-01 0.195E-01 DAV: 3 -0.133520317352E+04 0.32128E-03 -0.14223E-03 1696 0.552E-02 0.121E-01 DAV: 4 -0.133520306605E+04 0.10747E-03 -0.13134E-03 1600 0.544E-02 0.507E-02 DAV: 5 -0.133520306348E+04 0.25686E-05 -0.25799E-04 1440 0.230E-02 355 F= -.13541667E+04 E0= -.13541667E+04 d E =-.197893E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133518064690E+04 0.22419E-01 -0.12617E+01 1408 0.451E+00 0.867E-01 DAV: 2 -0.133520696028E+04 -0.26313E-01 -0.28974E-01 1632 0.650E-01 0.392E-01 DAV: 3 -0.133520564267E+04 0.13176E-02 -0.57656E-03 1728 0.111E-01 0.245E-01 DAV: 4 -0.133520515831E+04 0.48436E-03 -0.54106E-03 1664 0.109E-01 0.103E-01 DAV: 5 -0.133520512510E+04 0.33216E-04 -0.10571E-03 1696 0.462E-02 0.580E-02 DAV: 6 -0.133520512426E+04 0.83356E-06 -0.29424E-04 1408 0.207E-02 356 F= -.13541680E+04 E0= -.13541680E+04 d E =-.210980E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133519248650E+04 0.12639E-01 -0.14446E+01 1408 0.481E+00 0.847E-01 DAV: 2 -0.133522270364E+04 -0.30217E-01 -0.33052E-01 1632 0.692E-01 0.420E-01 DAV: 3 -0.133522133376E+04 0.13699E-02 -0.62626E-03 1760 0.115E-01 0.265E-01 DAV: 4 -0.133522079268E+04 0.54108E-03 -0.50437E-03 1664 0.105E-01 0.110E-01 DAV: 5 -0.133522077249E+04 0.20195E-04 -0.98418E-04 1728 0.464E-02 357 F= -.13541824E+04 E0= -.13541824E+04 d E =-.144111E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133520750017E+04 0.13293E-01 -0.11162E+01 1408 0.423E+00 0.754E-01 DAV: 2 -0.133523082023E+04 -0.23320E-01 -0.25575E-01 1632 0.608E-01 0.369E-01 DAV: 3 -0.133522977724E+04 0.10430E-02 -0.48722E-03 1760 0.102E-01 0.231E-01 DAV: 4 -0.133522940820E+04 0.36904E-03 -0.39450E-03 1664 0.923E-02 0.977E-02 DAV: 5 -0.133522939410E+04 0.14104E-04 -0.76374E-04 1696 0.412E-02 358 F= -.13541900E+04 E0= -.13541900E+04 d E =-.219695E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133514624971E+04 0.83158E-01 -0.44715E+01 1408 0.847E+00 0.150E+00 DAV: 2 -0.133523999077E+04 -0.93741E-01 -0.10267E+00 1632 0.122E+00 0.745E-01 DAV: 3 -0.133523573361E+04 0.42572E-02 -0.19595E-02 1760 0.203E-01 0.470E-01 DAV: 4 -0.133523400589E+04 0.17277E-02 -0.15840E-02 1632 0.185E-01 0.197E-01 DAV: 5 -0.133523391725E+04 0.88646E-04 -0.30510E-03 1728 0.822E-02 0.948E-02 DAV: 6 -0.133523398826E+04 -0.71016E-04 -0.78098E-04 1568 0.353E-02 359 F= -.13541925E+04 E0= -.13541925E+04 d E =-.245156E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133520693608E+04 0.26981E-01 -0.24198E+01 1408 0.624E+00 0.132E+00 DAV: 2 -0.133525817892E+04 -0.51243E-01 -0.56221E-01 1632 0.907E-01 0.573E-01 DAV: 3 -0.133525566573E+04 0.25132E-02 -0.10654E-02 1696 0.154E-01 0.332E-01 DAV: 4 -0.133525494443E+04 0.72130E-03 -0.74143E-03 1664 0.129E-01 0.128E-01 DAV: 5 -0.133525491758E+04 0.26851E-04 -0.14657E-03 1728 0.586E-02 0.670E-02 DAV: 6 -0.133525497034E+04 -0.52755E-04 -0.34871E-04 1504 0.245E-02 360 F= -.13542123E+04 E0= -.13542123E+04 d E =-.197681E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133525368156E+04 0.12360E-02 -0.21796E+00 1472 0.187E+00 0.403E-01 DAV: 2 -0.133525831686E+04 -0.46353E-02 -0.50765E-02 1632 0.273E-01 0.173E-01 DAV: 3 -0.133525810870E+04 0.20816E-03 -0.96162E-04 1728 0.462E-02 0.100E-01 DAV: 4 -0.133525807160E+04 0.37097E-04 -0.65086E-04 1568 0.387E-02 361 F= -.13542151E+04 E0= -.13542151E+04 d E =-.225240E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133524125432E+04 0.16854E-01 -0.86980E+00 1408 0.374E+00 0.796E-01 DAV: 2 -0.133525947955E+04 -0.18225E-01 -0.20173E-01 1632 0.545E-01 0.355E-01 DAV: 3 -0.133525852373E+04 0.95583E-03 -0.39369E-03 1696 0.947E-02 0.206E-01 DAV: 4 -0.133525826817E+04 0.25556E-03 -0.28697E-03 1664 0.800E-02 0.802E-02 DAV: 5 -0.133525825417E+04 0.14002E-04 -0.56961E-04 1632 0.369E-02 362 F= -.13542146E+04 E0= -.13542146E+04 d E =-.220421E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133525132381E+04 0.69444E-02 -0.39529E+00 1408 0.252E+00 0.522E-01 DAV: 2 -0.133525961542E+04 -0.82916E-02 -0.91065E-02 1632 0.365E-01 0.236E-01 DAV: 3 -0.133525919987E+04 0.41555E-03 -0.17523E-03 1696 0.615E-02 0.139E-01 DAV: 4 -0.133525909367E+04 0.10620E-03 -0.12062E-03 1632 0.522E-02 0.512E-02 DAV: 5 -0.133525909860E+04 -0.49318E-05 -0.22408E-04 1376 0.234E-02 363 F= -.13542159E+04 E0= -.13542159E+04 d E =-.233302E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133526408083E+04 -0.49872E-02 -0.57901E+00 1408 0.303E+00 0.700E-01 DAV: 2 -0.133527595563E+04 -0.11875E-01 -0.13353E-01 1664 0.444E-01 0.319E-01 DAV: 3 -0.133527525827E+04 0.69737E-03 -0.28734E-03 1728 0.779E-02 0.184E-01 DAV: 4 -0.133527502528E+04 0.23298E-03 -0.17534E-03 1664 0.634E-02 0.664E-02 DAV: 5 -0.133527502044E+04 0.48463E-05 -0.33504E-04 1664 0.287E-02 364 F= -.13542299E+04 E0= -.13542299E+04 d E =-.140023E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133527052871E+04 0.44966E-02 -0.62293E+00 1408 0.315E+00 0.736E-01 DAV: 2 -0.133528338588E+04 -0.12857E-01 -0.14452E-01 1664 0.460E-01 0.329E-01 DAV: 3 -0.133528264606E+04 0.73982E-03 -0.30257E-03 1760 0.815E-02 0.190E-01 DAV: 4 -0.133528241050E+04 0.23556E-03 -0.19380E-03 1664 0.666E-02 0.698E-02 DAV: 5 -0.133528239981E+04 0.10692E-04 -0.37655E-04 1664 0.308E-02 365 F= -.13542353E+04 E0= -.13542353E+04 d E =-.194219E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133528675086E+04 -0.43404E-02 -0.70279E+00 1408 0.333E+00 0.812E-01 DAV: 2 -0.133530162096E+04 -0.14870E-01 -0.16556E-01 1696 0.487E-01 0.317E-01 DAV: 3 -0.133530077867E+04 0.84230E-03 -0.32558E-03 1760 0.826E-02 0.183E-01 DAV: 4 -0.133530055741E+04 0.22126E-03 -0.18385E-03 1632 0.602E-02 0.734E-02 DAV: 5 -0.133530055306E+04 0.43493E-05 -0.34207E-04 1568 0.299E-02 366 F= -.13542520E+04 E0= -.13542520E+04 d E =-.167298E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133526390090E+04 0.36657E-01 -0.26300E+01 1408 0.645E+00 0.157E+00 DAV: 2 -0.133531953269E+04 -0.55632E-01 -0.61936E-01 1696 0.941E-01 0.612E-01 DAV: 3 -0.133531633353E+04 0.31992E-02 -0.12247E-02 1760 0.159E-01 0.352E-01 DAV: 4 -0.133531539574E+04 0.93780E-03 -0.68235E-03 1632 0.116E-01 0.141E-01 DAV: 5 -0.133531536700E+04 0.28733E-04 -0.13080E-03 1824 0.574E-02 0.619E-02 DAV: 6 -0.133531540235E+04 -0.35349E-04 -0.22337E-04 1536 0.193E-02 367 F= -.13542642E+04 E0= -.13542642E+04 d E =-.289648E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133532025748E+04 -0.48905E-02 -0.20128E+00 1408 0.177E+00 0.361E-01 DAV: 2 -0.133532448424E+04 -0.42268E-02 -0.46476E-02 1632 0.257E-01 0.158E-01 DAV: 3 -0.133532431843E+04 0.16581E-03 -0.86395E-04 1664 0.406E-02 0.983E-02 DAV: 4 -0.133532428701E+04 0.31419E-04 -0.53380E-04 1536 0.336E-02 368 F= -.13542725E+04 E0= -.13542725E+04 d E =-.820395E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133530963628E+04 0.14682E-01 -0.18064E+01 1408 0.530E+00 0.107E+00 DAV: 2 -0.133534717518E+04 -0.37539E-01 -0.41584E-01 1600 0.764E-01 0.488E-01 DAV: 3 -0.133534539769E+04 0.17775E-02 -0.79440E-03 1728 0.124E-01 0.301E-01 DAV: 4 -0.133534473803E+04 0.65967E-03 -0.51397E-03 1664 0.103E-01 0.124E-01 DAV: 5 -0.133534472959E+04 0.84371E-05 -0.98088E-04 1792 0.479E-02 369 F= -.13542909E+04 E0= -.13542909E+04 d E =-.266927E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133521256768E+04 0.13217E+00 -0.72125E+01 1408 0.106E+01 0.214E+00 DAV: 2 -0.133536421895E+04 -0.15165E+00 -0.16742E+00 1632 0.153E+00 0.964E-01 DAV: 3 -0.133535712632E+04 0.70926E-02 -0.31666E-02 1728 0.247E-01 0.599E-01 DAV: 4 -0.133535428489E+04 0.28414E-02 -0.20089E-02 1664 0.202E-01 0.250E-01 DAV: 5 -0.133535417692E+04 0.10797E-03 -0.38355E-03 1824 0.944E-02 0.101E-01 DAV: 6 -0.133535425436E+04 -0.77446E-04 -0.78586E-04 1632 0.361E-02 370 F= -.13542970E+04 E0= -.13542970E+04 d E =-.327084E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133533758808E+04 0.16589E-01 -0.91960E+00 1408 0.377E+00 0.745E-01 DAV: 2 -0.133535659445E+04 -0.19006E-01 -0.20925E-01 1632 0.542E-01 0.350E-01 DAV: 3 -0.133535571223E+04 0.88223E-03 -0.40269E-03 1728 0.873E-02 0.217E-01 DAV: 4 -0.133535542166E+04 0.29057E-03 -0.25838E-03 1664 0.730E-02 0.872E-02 DAV: 5 -0.133535544957E+04 -0.27910E-04 -0.48013E-04 1664 0.331E-02 371 F= -.13542993E+04 E0= -.13542993E+04 d E =-.350964E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133536493420E+04 -0.95125E-02 -0.36470E+00 1408 0.238E+00 0.526E-01 DAV: 2 -0.133537263978E+04 -0.77056E-02 -0.85579E-02 1600 0.350E-01 0.236E-01 DAV: 3 -0.133537220096E+04 0.43882E-03 -0.16322E-03 1728 0.578E-02 0.142E-01 DAV: 4 -0.133537205810E+04 0.14285E-03 -0.10055E-03 1632 0.480E-02 0.490E-02 DAV: 5 -0.133537206135E+04 -0.32523E-05 -0.19455E-04 1376 0.220E-02 372 F= -.13543150E+04 E0= -.13543150E+04 d E =-.156339E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133535358089E+04 0.18477E-01 -0.18208E+01 1408 0.532E+00 0.118E+00 DAV: 2 -0.133539226056E+04 -0.38680E-01 -0.42943E-01 1600 0.789E-01 0.523E-01 DAV: 3 -0.133539014094E+04 0.21196E-02 -0.81773E-03 1728 0.130E-01 0.315E-01 DAV: 4 -0.133538941357E+04 0.72738E-03 -0.49998E-03 1664 0.107E-01 0.113E-01 DAV: 5 -0.133538940797E+04 0.56010E-05 -0.10507E-03 1792 0.499E-02 0.531E-02 DAV: 6 -0.133538942064E+04 -0.12673E-04 -0.19108E-04 1504 0.182E-02 373 F= -.13543302E+04 E0= -.13543302E+04 d E =-.308825E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133539756499E+04 -0.81570E-02 -0.60719E+00 1408 0.308E+00 0.705E-01 DAV: 2 -0.133541015778E+04 -0.12593E-01 -0.13998E-01 1632 0.450E-01 0.291E-01 DAV: 3 -0.133540950960E+04 0.64818E-03 -0.28407E-03 1760 0.758E-02 0.178E-01 DAV: 4 -0.133540928520E+04 0.22440E-03 -0.18002E-03 1664 0.661E-02 0.671E-02 DAV: 5 -0.133540928803E+04 -0.28208E-05 -0.33278E-04 1600 0.298E-02 374 F= -.13543487E+04 E0= -.13543487E+04 d E =-.184420E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133537949584E+04 0.29789E-01 -0.24770E+01 1408 0.622E+00 0.142E+00 DAV: 2 -0.133543103063E+04 -0.51535E-01 -0.57175E-01 1664 0.913E-01 0.591E-01 DAV: 3 -0.133542827412E+04 0.27565E-02 -0.11619E-02 1760 0.154E-01 0.362E-01 DAV: 4 -0.133542721357E+04 0.10606E-02 -0.74718E-03 1664 0.134E-01 0.138E-01 DAV: 5 -0.133542718836E+04 0.25210E-04 -0.14004E-03 1760 0.608E-02 0.696E-02 DAV: 6 -0.133542719945E+04 -0.11096E-04 -0.43970E-04 1632 0.275E-02 375 F= -.13543638E+04 E0= -.13543638E+04 d E =-.336031E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133543411051E+04 -0.69222E-02 -0.62819E+00 1408 0.311E+00 0.759E-01 DAV: 2 -0.133544755016E+04 -0.13440E-01 -0.14865E-01 1632 0.460E-01 0.305E-01 DAV: 3 -0.133544687428E+04 0.67588E-03 -0.30150E-03 1792 0.805E-02 0.174E-01 DAV: 4 -0.133544670113E+04 0.17315E-03 -0.15710E-03 1632 0.588E-02 0.672E-02 DAV: 5 -0.133544670754E+04 -0.64096E-05 -0.25114E-04 1376 0.280E-02 376 F= -.13543815E+04 E0= -.13543815E+04 d E =-.176808E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133542478701E+04 0.21914E-01 -0.18416E+01 1408 0.533E+00 0.130E+00 DAV: 2 -0.133546410873E+04 -0.39322E-01 -0.43553E-01 1632 0.785E-01 0.528E-01 DAV: 3 -0.133546201645E+04 0.20923E-02 -0.88576E-03 1792 0.139E-01 0.298E-01 DAV: 4 -0.133546142805E+04 0.58840E-03 -0.47243E-03 1664 0.101E-01 0.115E-01 DAV: 5 -0.133546141287E+04 0.15181E-04 -0.79728E-04 1664 0.487E-02 377 F= -.13543932E+04 E0= -.13543932E+04 d E =-.293420E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133546551423E+04 -0.40862E-02 -0.58004E+00 1408 0.300E+00 0.636E-01 DAV: 2 -0.133547777721E+04 -0.12263E-01 -0.13569E-01 1632 0.438E-01 0.310E-01 DAV: 3 -0.133547715903E+04 0.61818E-03 -0.25048E-03 1760 0.743E-02 0.192E-01 DAV: 4 -0.133547695924E+04 0.19978E-03 -0.20864E-03 1632 0.706E-02 0.681E-02 DAV: 5 -0.133547695775E+04 0.14934E-05 -0.39973E-04 1600 0.305E-02 378 F= -.13544078E+04 E0= -.13544078E+04 d E =-.146070E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133545097336E+04 0.25986E-01 -0.18694E+01 1408 0.538E+00 0.114E+00 DAV: 2 -0.133549060282E+04 -0.39629E-01 -0.43859E-01 1632 0.787E-01 0.554E-01 DAV: 3 -0.133548847715E+04 0.21257E-02 -0.81172E-03 1760 0.133E-01 0.343E-01 DAV: 4 -0.133548763095E+04 0.84620E-03 -0.68538E-03 1664 0.129E-01 0.123E-01 DAV: 5 -0.133548759888E+04 0.32068E-04 -0.13462E-03 1728 0.552E-02 0.678E-02 DAV: 6 -0.133548758991E+04 0.89704E-05 -0.42132E-04 1568 0.261E-02 379 F= -.13544168E+04 E0= -.13544168E+04 d E =-.236583E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133549220792E+04 -0.46090E-02 -0.48482E+00 1408 0.271E+00 0.554E-01 DAV: 2 -0.133550249354E+04 -0.10286E-01 -0.11419E-01 1600 0.397E-01 0.255E-01 DAV: 3 -0.133550202237E+04 0.47117E-03 -0.21802E-03 1760 0.665E-02 0.162E-01 DAV: 4 -0.133550184806E+04 0.17431E-03 -0.15957E-03 1600 0.598E-02 0.662E-02 DAV: 5 -0.133550184895E+04 -0.89488E-06 -0.30754E-04 1536 0.267E-02 380 F= -.13544310E+04 E0= -.13544310E+04 d E =-.141819E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133544195378E+04 0.59894E-01 -0.43544E+01 1408 0.812E+00 0.165E+00 DAV: 2 -0.133553459959E+04 -0.92646E-01 -0.10253E+00 1632 0.118E+00 0.767E-01 DAV: 3 -0.133553022662E+04 0.43730E-02 -0.19768E-02 1760 0.201E-01 0.484E-01 DAV: 4 -0.133552842874E+04 0.17979E-02 -0.14578E-02 1664 0.178E-01 0.198E-01 DAV: 5 -0.133552835356E+04 0.75181E-04 -0.28177E-03 1856 0.797E-02 0.917E-02 DAV: 6 -0.133552838641E+04 -0.32855E-04 -0.64118E-04 1632 0.330E-02 381 F= -.13544575E+04 E0= -.13544575E+04 d E =-.407022E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133552108818E+04 0.72654E-02 -0.49571E+00 1408 0.273E+00 0.567E-01 DAV: 2 -0.133553170678E+04 -0.10619E-01 -0.11779E-01 1632 0.401E-01 0.257E-01 DAV: 3 -0.133553122145E+04 0.48533E-03 -0.22268E-03 1728 0.677E-02 0.163E-01 DAV: 4 -0.133553104967E+04 0.17178E-03 -0.16698E-03 1632 0.610E-02 0.670E-02 DAV: 5 -0.133553105016E+04 -0.49100E-06 -0.32387E-04 1536 0.275E-02 382 F= -.13544603E+04 E0= -.13544603E+04 d E =-.434315E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133552775915E+04 0.32905E-02 -0.14802E+01 1408 0.473E+00 0.108E+00 DAV: 2 -0.133555967726E+04 -0.31918E-01 -0.36100E-01 1664 0.706E-01 0.502E-01 DAV: 3 -0.133555797496E+04 0.17023E-02 -0.76277E-03 1696 0.127E-01 0.312E-01 DAV: 4 -0.133555740303E+04 0.57193E-03 -0.53511E-03 1632 0.104E-01 0.133E-01 DAV: 5 -0.133555736804E+04 0.34994E-04 -0.10031E-03 1760 0.499E-02 0.550E-02 DAV: 6 -0.133555739656E+04 -0.28521E-04 -0.21258E-04 1504 0.191E-02 383 F= -.13544880E+04 E0= -.13544880E+04 d E =-.277352E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133555121935E+04 0.61487E-02 -0.72642E+00 1408 0.331E+00 0.758E-01 DAV: 2 -0.133556689650E+04 -0.15677E-01 -0.17718E-01 1664 0.495E-01 0.349E-01 DAV: 3 -0.133556606838E+04 0.82813E-03 -0.37281E-03 1696 0.880E-02 0.216E-01 DAV: 4 -0.133556579528E+04 0.27310E-03 -0.25401E-03 1632 0.721E-02 0.912E-02 DAV: 5 -0.133556578164E+04 0.13634E-04 -0.47212E-04 1600 0.347E-02 384 F= -.13544974E+04 E0= -.13544974E+04 d E =-.371520E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133550169795E+04 0.64097E-01 -0.28978E+01 1408 0.662E+00 0.151E+00 DAV: 2 -0.133556437101E+04 -0.62673E-01 -0.70835E-01 1664 0.989E-01 0.703E-01 DAV: 3 -0.133556101749E+04 0.33535E-02 -0.14958E-02 1696 0.177E-01 0.437E-01 DAV: 4 -0.133555983135E+04 0.11861E-02 -0.10380E-02 1632 0.145E-01 0.185E-01 DAV: 5 -0.133555974393E+04 0.87415E-04 -0.19563E-03 1824 0.700E-02 0.761E-02 DAV: 6 -0.133555978452E+04 -0.40588E-04 -0.40971E-04 1632 0.265E-02 385 F= -.13544936E+04 E0= -.13544936E+04 d E =-.333646E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133554210256E+04 0.17641E-01 -0.12592E+01 1408 0.437E+00 0.988E-01 DAV: 2 -0.133556903828E+04 -0.26936E-01 -0.30384E-01 1632 0.649E-01 0.466E-01 DAV: 3 -0.133556757761E+04 0.14607E-02 -0.65255E-03 1760 0.116E-01 0.286E-01 DAV: 4 -0.133556711654E+04 0.46108E-03 -0.44678E-03 1632 0.948E-02 0.119E-01 DAV: 5 -0.133556710431E+04 0.12221E-04 -0.80746E-04 1760 0.448E-02 386 F= -.13544995E+04 E0= -.13544995E+04 d E =-.392056E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133555046514E+04 0.16651E-01 -0.19006E+01 1408 0.535E+00 0.129E+00 DAV: 2 -0.133559106042E+04 -0.40595E-01 -0.46199E-01 1664 0.792E-01 0.601E-01 DAV: 3 -0.133558869191E+04 0.23685E-02 -0.97303E-03 1696 0.137E-01 0.378E-01 DAV: 4 -0.133558782948E+04 0.86244E-03 -0.81064E-03 1632 0.127E-01 0.145E-01 DAV: 5 -0.133558774738E+04 0.82100E-04 -0.16187E-03 1792 0.586E-02 0.680E-02 DAV: 6 -0.133558774993E+04 -0.25544E-05 -0.34750E-04 1536 0.224E-02 387 F= -.13545227E+04 E0= -.13545227E+04 d E =-.231842E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133558332487E+04 0.44225E-02 -0.31229E+00 1408 0.217E+00 0.538E-01 DAV: 2 -0.133559000599E+04 -0.66811E-02 -0.75929E-02 1664 0.321E-01 0.240E-01 DAV: 3 -0.133558962073E+04 0.38526E-03 -0.15514E-03 1696 0.554E-02 0.149E-01 DAV: 4 -0.133558950176E+04 0.11896E-03 -0.12788E-03 1600 0.509E-02 0.570E-02 DAV: 5 -0.133558949552E+04 0.62489E-05 -0.25620E-04 1504 0.238E-02 388 F= -.13545255E+04 E0= -.13545255E+04 d E =-.259929E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133559048081E+04 -0.97905E-03 -0.82800E+00 1408 0.353E+00 0.842E-01 DAV: 2 -0.133560835152E+04 -0.17871E-01 -0.20241E-01 1664 0.529E-01 0.375E-01 DAV: 3 -0.133560734756E+04 0.10040E-02 -0.43360E-03 1696 0.951E-02 0.228E-01 DAV: 4 -0.133560705501E+04 0.29255E-03 -0.31504E-03 1632 0.790E-02 0.907E-02 DAV: 5 -0.133560703816E+04 0.16847E-04 -0.59741E-04 1760 0.363E-02 389 F= -.13545437E+04 E0= -.13545437E+04 d E =-.181893E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133560205990E+04 0.49951E-02 -0.40497E+00 1408 0.246E+00 0.598E-01 DAV: 2 -0.133561081888E+04 -0.87590E-02 -0.99322E-02 1632 0.370E-01 0.263E-01 DAV: 3 -0.133561033248E+04 0.48640E-03 -0.20999E-03 1696 0.666E-02 0.159E-01 DAV: 4 -0.133561020576E+04 0.12672E-03 -0.15515E-03 1568 0.554E-02 0.636E-02 DAV: 5 -0.133561019548E+04 0.10277E-04 -0.29160E-04 1568 0.258E-02 390 F= -.13545473E+04 E0= -.13545473E+04 d E =-.218317E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133561033475E+04 -0.12899E-03 -0.73295E+00 1408 0.325E+00 0.743E-01 DAV: 2 -0.133562616782E+04 -0.15833E-01 -0.17600E-01 1632 0.478E-01 0.345E-01 DAV: 3 -0.133562534562E+04 0.82220E-03 -0.34543E-03 1696 0.831E-02 0.208E-01 DAV: 4 -0.133562506286E+04 0.28276E-03 -0.26827E-03 1600 0.736E-02 0.861E-02 DAV: 5 -0.133562505145E+04 0.11411E-04 -0.48748E-04 1664 0.325E-02 391 F= -.13545636E+04 E0= -.13545636E+04 d E =-.162633E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133556975354E+04 0.55309E-01 -0.32328E+01 1408 0.683E+00 0.157E+00 DAV: 2 -0.133563986416E+04 -0.70111E-01 -0.77729E-01 1664 0.100E+00 0.722E-01 DAV: 3 -0.133563617223E+04 0.36919E-02 -0.15342E-02 1664 0.175E-01 0.434E-01 DAV: 4 -0.133563477430E+04 0.13979E-02 -0.11704E-02 1600 0.154E-01 0.180E-01 DAV: 5 -0.133563469535E+04 0.78950E-04 -0.21424E-03 1824 0.678E-02 0.838E-02 DAV: 6 -0.133563471231E+04 -0.16961E-04 -0.49988E-04 1536 0.295E-02 392 F= -.13545763E+04 E0= -.13545763E+04 d E =-.289768E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133563556721E+04 -0.87186E-03 -0.63146E+00 1408 0.297E+00 0.651E-01 DAV: 2 -0.133564932707E+04 -0.13760E-01 -0.15173E-01 1600 0.435E-01 0.312E-01 DAV: 3 -0.133564866737E+04 0.65970E-03 -0.28584E-03 1696 0.738E-02 0.190E-01 DAV: 4 -0.133564842761E+04 0.23976E-03 -0.21670E-03 1600 0.647E-02 0.771E-02 DAV: 5 -0.133564843522E+04 -0.76059E-05 -0.38007E-04 1600 0.287E-02 393 F= -.13545917E+04 E0= -.13545917E+04 d E =-.154118E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133556611297E+04 0.82315E-01 -0.45843E+01 1408 0.801E+00 0.175E+00 DAV: 2 -0.133566599044E+04 -0.99877E-01 -0.11014E+00 1632 0.118E+00 0.846E-01 DAV: 3 -0.133566106752E+04 0.49229E-02 -0.21101E-02 1696 0.201E-01 0.512E-01 DAV: 4 -0.133565911129E+04 0.19562E-02 -0.16044E-02 1632 0.174E-01 0.208E-01 DAV: 5 -0.133565903752E+04 0.73769E-04 -0.27235E-03 1792 0.761E-02 0.981E-02 DAV: 6 -0.133565911005E+04 -0.72530E-04 -0.70606E-04 1568 0.345E-02 394 F= -.13546070E+04 E0= -.13546070E+04 d E =-.307241E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133565201304E+04 0.70245E-02 -0.12318E+01 1408 0.413E+00 0.959E-01 DAV: 2 -0.133567898092E+04 -0.26968E-01 -0.29773E-01 1600 0.611E-01 0.433E-01 DAV: 3 -0.133567765931E+04 0.13216E-02 -0.56787E-03 1696 0.106E-01 0.273E-01 DAV: 4 -0.133567719602E+04 0.46328E-03 -0.51130E-03 1632 0.104E-01 0.105E-01 DAV: 5 -0.133567719695E+04 -0.92921E-06 -0.97530E-04 1728 0.448E-02 395 F= -.13546273E+04 E0= -.13546273E+04 d E =-.202887E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133567219157E+04 0.50044E-02 -0.47980E+00 1408 0.258E+00 0.606E-01 DAV: 2 -0.133568272531E+04 -0.10534E-01 -0.11675E-01 1600 0.383E-01 0.272E-01 DAV: 3 -0.133568218316E+04 0.54215E-03 -0.22373E-03 1728 0.684E-02 0.170E-01 DAV: 4 -0.133568201956E+04 0.16360E-03 -0.21281E-03 1600 0.671E-02 0.682E-02 DAV: 5 -0.133568201689E+04 0.26665E-05 -0.40866E-04 1632 0.297E-02 396 F= -.13546335E+04 E0= -.13546335E+04 d E =-.265006E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133563941304E+04 0.42607E-01 -0.19215E+01 1408 0.517E+00 0.120E+00 DAV: 2 -0.133568132357E+04 -0.41911E-01 -0.46345E-01 1632 0.765E-01 0.544E-01 DAV: 3 -0.133567911818E+04 0.22054E-02 -0.88611E-03 1696 0.134E-01 0.340E-01 DAV: 4 -0.133567827858E+04 0.83960E-03 -0.83060E-03 1632 0.132E-01 0.134E-01 DAV: 5 -0.133567823217E+04 0.46404E-04 -0.15813E-03 1728 0.572E-02 0.716E-02 DAV: 6 -0.133567823236E+04 -0.18807E-06 -0.48949E-04 1568 0.268E-02 397 F= -.13546325E+04 E0= -.13546325E+04 d E =-.255328E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133567005543E+04 0.81767E-02 -0.62430E+00 1408 0.294E+00 0.674E-01 DAV: 2 -0.133568362325E+04 -0.13568E-01 -0.14961E-01 1632 0.434E-01 0.312E-01 DAV: 3 -0.133568293363E+04 0.68963E-03 -0.29032E-03 1728 0.755E-02 0.194E-01 DAV: 4 -0.133568273434E+04 0.19928E-03 -0.26857E-03 1632 0.739E-02 0.735E-02 DAV: 5 -0.133568273636E+04 -0.20193E-05 -0.48392E-04 1600 0.314E-02 398 F= -.13546354E+04 E0= -.13546354E+04 d E =-.284248E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133567291544E+04 0.98189E-02 -0.16190E+01 1440 0.471E+00 0.117E+00 DAV: 2 -0.133570798647E+04 -0.35071E-01 -0.39343E-01 1600 0.703E-01 0.539E-01 DAV: 3 -0.133570620748E+04 0.17790E-02 -0.81630E-03 1664 0.126E-01 0.334E-01 DAV: 4 -0.133570552927E+04 0.67820E-03 -0.65470E-03 1632 0.113E-01 0.133E-01 DAV: 5 -0.133570548282E+04 0.46457E-04 -0.11485E-03 1824 0.507E-02 0.616E-02 DAV: 6 -0.133570549054E+04 -0.77292E-05 -0.30005E-04 1536 0.229E-02 399 F= -.13546614E+04 E0= -.13546614E+04 d E =-.260062E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133569513500E+04 0.10348E-01 -0.84569E+00 1408 0.341E+00 0.857E-01 DAV: 2 -0.133571356874E+04 -0.18434E-01 -0.20708E-01 1632 0.509E-01 0.386E-01 DAV: 3 -0.133571264616E+04 0.92257E-03 -0.42408E-03 1664 0.917E-02 0.237E-01 DAV: 4 -0.133571231740E+04 0.32876E-03 -0.34250E-03 1632 0.815E-02 0.956E-02 DAV: 5 -0.133571229386E+04 0.23542E-04 -0.60551E-04 1696 0.371E-02 400 F= -.13546706E+04 E0= -.13546706E+04 d E =-.351686E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133563490710E+04 0.77410E-01 -0.33744E+01 1408 0.682E+00 0.169E+00 DAV: 2 -0.133570865506E+04 -0.73748E-01 -0.82661E-01 1632 0.102E+00 0.777E-01 DAV: 3 -0.133570493792E+04 0.37171E-02 -0.17034E-02 1696 0.184E-01 0.480E-01 DAV: 4 -0.133570354330E+04 0.13946E-02 -0.14019E-02 1600 0.165E-01 0.194E-01 DAV: 5 -0.133570341940E+04 0.12391E-03 -0.24940E-03 1824 0.753E-02 0.904E-02 DAV: 6 -0.133570344303E+04 -0.23635E-04 -0.63049E-04 1568 0.332E-02 401 F= -.13546665E+04 E0= -.13546665E+04 d E =-.310559E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133568285813E+04 0.20561E-01 -0.14546E+01 1408 0.448E+00 0.112E+00 DAV: 2 -0.133571459892E+04 -0.31741E-01 -0.35695E-01 1664 0.666E-01 0.505E-01 DAV: 3 -0.133571301387E+04 0.15851E-02 -0.74508E-03 1728 0.122E-01 0.307E-01 DAV: 4 -0.133571253876E+04 0.47510E-03 -0.59913E-03 1632 0.106E-01 0.122E-01 DAV: 5 -0.133571252164E+04 0.17123E-04 -0.10055E-03 1792 0.475E-02 0.557E-02 DAV: 6 -0.133571255548E+04 -0.33837E-04 -0.26191E-04 1504 0.211E-02 402 F= -.13546725E+04 E0= -.13546725E+04 d E =-.370527E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133569709857E+04 0.15423E-01 -0.18376E+01 1440 0.502E+00 0.121E+00 DAV: 2 -0.133573678206E+04 -0.39683E-01 -0.44320E-01 1600 0.742E-01 0.545E-01 DAV: 3 -0.133573470987E+04 0.20722E-02 -0.90675E-03 1696 0.134E-01 0.329E-01 DAV: 4 -0.133573394774E+04 0.76213E-03 -0.69267E-03 1664 0.117E-01 0.131E-01 DAV: 5 -0.133573391408E+04 0.33666E-04 -0.11803E-03 1760 0.518E-02 0.607E-02 DAV: 6 -0.133573392365E+04 -0.95692E-05 -0.31376E-04 1568 0.232E-02 403 F= -.13546963E+04 E0= -.13546963E+04 d E =-.237840E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133572004571E+04 0.13868E-01 -0.90340E+00 1408 0.351E+00 0.857E-01 DAV: 2 -0.133573967099E+04 -0.19625E-01 -0.21913E-01 1632 0.521E-01 0.378E-01 DAV: 3 -0.133573867724E+04 0.99375E-03 -0.44168E-03 1632 0.932E-02 0.229E-01 DAV: 4 -0.133573831770E+04 0.35954E-03 -0.33361E-03 1696 0.813E-02 0.909E-02 DAV: 5 -0.133573830210E+04 0.15594E-04 -0.57342E-04 1664 0.363E-02 404 F= -.13547023E+04 E0= -.13547023E+04 d E =-.298752E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133573734015E+04 0.97754E-03 -0.10200E+01 1408 0.375E+00 0.948E-01 DAV: 2 -0.133575972847E+04 -0.22388E-01 -0.24945E-01 1632 0.556E-01 0.444E-01 DAV: 3 -0.133575859076E+04 0.11377E-02 -0.50719E-03 1696 0.984E-02 0.270E-01 DAV: 4 -0.133575813421E+04 0.45655E-03 -0.37991E-03 1600 0.869E-02 0.978E-02 DAV: 5 -0.133575812687E+04 0.73352E-05 -0.68351E-04 1696 0.390E-02 405 F= -.13547233E+04 E0= -.13547233E+04 d E =-.209740E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133573613666E+04 0.21998E-01 -0.13818E+01 1408 0.436E+00 0.111E+00 DAV: 2 -0.133576648598E+04 -0.30349E-01 -0.33890E-01 1632 0.648E-01 0.519E-01 DAV: 3 -0.133576492712E+04 0.15589E-02 -0.68551E-03 1696 0.114E-01 0.315E-01 DAV: 4 -0.133576428614E+04 0.64097E-03 -0.51968E-03 1632 0.102E-01 0.114E-01 DAV: 5 -0.133576427693E+04 0.92143E-05 -0.94927E-04 1760 0.457E-02 406 F= -.13547308E+04 E0= -.13547308E+04 d E =-.284704E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133576508309E+04 -0.79694E-03 -0.56453E+00 1408 0.275E+00 0.611E-01 DAV: 2 -0.133577752892E+04 -0.12446E-01 -0.13675E-01 1632 0.403E-01 0.303E-01 DAV: 3 -0.133577702726E+04 0.50165E-03 -0.24461E-03 1664 0.657E-02 0.193E-01 DAV: 4 -0.133577684675E+04 0.18052E-03 -0.21372E-03 1568 0.632E-02 0.738E-02 DAV: 5 -0.133577686619E+04 -0.19443E-04 -0.39072E-04 1632 0.276E-02 407 F= -.13547448E+04 E0= -.13547448E+04 d E =-.139741E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133569077022E+04 0.86077E-01 -0.50852E+01 1408 0.825E+00 0.182E+00 DAV: 2 -0.133580298425E+04 -0.11221E+00 -0.12279E+00 1664 0.121E+00 0.902E-01 DAV: 3 -0.133579822392E+04 0.47603E-02 -0.22244E-02 1664 0.195E-01 0.570E-01 DAV: 4 -0.133579587709E+04 0.23468E-02 -0.18283E-02 1664 0.185E-01 0.218E-01 DAV: 5 -0.133579589520E+04 -0.18108E-04 -0.33606E-03 1792 0.795E-02 0.106E-01 DAV: 6 -0.133579594465E+04 -0.49453E-04 -0.68169E-04 1568 0.330E-02 408 F= -.13547681E+04 E0= -.13547681E+04 d E =-.372589E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133580589311E+04 -0.99979E-02 -0.52466E+00 1408 0.270E+00 0.765E-01 DAV: 2 -0.133581787466E+04 -0.11982E-01 -0.13584E-01 1664 0.421E-01 0.356E-01 DAV: 3 -0.133581722177E+04 0.65289E-03 -0.28842E-03 1760 0.762E-02 0.217E-01 DAV: 4 -0.133581701887E+04 0.20290E-03 -0.18940E-03 1664 0.599E-02 0.716E-02 DAV: 5 -0.133581703444E+04 -0.15567E-04 -0.34671E-04 1632 0.291E-02 409 F= -.13547916E+04 E0= -.13547916E+04 d E =-.234963E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133581567340E+04 0.13455E-02 -0.46386E+00 1408 0.254E+00 0.723E-01 DAV: 2 -0.133582618804E+04 -0.10515E-01 -0.11919E-01 1664 0.395E-01 0.337E-01 DAV: 3 -0.133582556838E+04 0.61965E-03 -0.25140E-03 1728 0.719E-02 0.203E-01 DAV: 4 -0.133582536350E+04 0.20489E-03 -0.17011E-03 1664 0.566E-02 0.667E-02 DAV: 5 -0.133582536327E+04 0.22577E-06 -0.30862E-04 1568 0.277E-02 410 F= -.13548022E+04 E0= -.13548022E+04 d E =-.340982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133582352159E+04 0.18419E-02 -0.94926E-01 1408 0.115E+00 0.332E-01 DAV: 2 -0.133582568015E+04 -0.21586E-02 -0.24491E-02 1664 0.179E-01 0.151E-01 DAV: 3 -0.133582555611E+04 0.12404E-03 -0.51104E-04 1664 0.327E-02 0.904E-02 DAV: 4 -0.133582552074E+04 0.35371E-04 -0.33850E-04 1504 0.255E-02 411 F= -.13548034E+04 E0= -.13548034E+04 d E =-.352854E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133582829322E+04 -0.27371E-02 -0.69882E+00 1408 0.312E+00 0.906E-01 DAV: 2 -0.133584379308E+04 -0.15500E-01 -0.17471E-01 1664 0.470E-01 0.410E-01 DAV: 3 -0.133584291715E+04 0.87593E-03 -0.36114E-03 1696 0.836E-02 0.256E-01 DAV: 4 -0.133584257997E+04 0.33717E-03 -0.33473E-03 1696 0.817E-02 0.818E-02 DAV: 5 -0.133584256288E+04 0.17099E-04 -0.58544E-04 1728 0.359E-02 412 F= -.13548232E+04 E0= -.13548232E+04 d E =-.198639E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133583214664E+04 0.10433E-01 -0.89265E+00 1408 0.353E+00 0.103E+00 DAV: 2 -0.133585214541E+04 -0.19999E-01 -0.22500E-01 1664 0.532E-01 0.461E-01 DAV: 3 -0.133585102101E+04 0.11244E-02 -0.45582E-03 1728 0.943E-02 0.288E-01 DAV: 4 -0.133585058148E+04 0.43953E-03 -0.42779E-03 1664 0.924E-02 0.915E-02 DAV: 5 -0.133585056277E+04 0.18718E-04 -0.75453E-04 1728 0.405E-02 413 F= -.13548344E+04 E0= -.13548344E+04 d E =-.310176E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133586015395E+04 -0.95725E-02 -0.72180E+00 1408 0.325E+00 0.920E-01 DAV: 2 -0.133587667811E+04 -0.16524E-01 -0.18776E-01 1664 0.499E-01 0.359E-01 DAV: 3 -0.133587573054E+04 0.94757E-03 -0.40727E-03 1728 0.903E-02 0.217E-01 DAV: 4 -0.133587536308E+04 0.36746E-03 -0.29064E-03 1664 0.783E-02 0.794E-02 DAV: 5 -0.133587537891E+04 -0.15829E-04 -0.46844E-04 1632 0.327E-02 414 F= -.13548606E+04 E0= -.13548606E+04 d E =-.262636E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133587065581E+04 0.47073E-02 -0.49294E+00 1408 0.268E+00 0.764E-01 DAV: 2 -0.133588192794E+04 -0.11272E-01 -0.12803E-01 1632 0.412E-01 0.302E-01 DAV: 3 -0.133588127441E+04 0.65352E-03 -0.27632E-03 1760 0.745E-02 0.181E-01 DAV: 4 -0.133588102750E+04 0.24692E-03 -0.20009E-03 1696 0.652E-02 0.658E-02 DAV: 5 -0.133588104122E+04 -0.13722E-04 -0.32180E-04 1536 0.274E-02 415 F= -.13548674E+04 E0= -.13548674E+04 d E =-.330559E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133587912239E+04 0.19051E-02 -0.85251E+00 1408 0.347E+00 0.894E-01 DAV: 2 -0.133589894872E+04 -0.19826E-01 -0.21880E-01 1664 0.527E-01 0.446E-01 DAV: 3 -0.133589795757E+04 0.99115E-03 -0.42137E-03 1728 0.896E-02 0.285E-01 DAV: 4 -0.133589749207E+04 0.46550E-03 -0.40615E-03 1664 0.890E-02 0.928E-02 DAV: 5 -0.133589749559E+04 -0.35269E-05 -0.68217E-04 1696 0.384E-02 416 F= -.13548867E+04 E0= -.13548867E+04 d E =-.193134E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133586713162E+04 0.30360E-01 -0.16380E+01 1408 0.480E+00 0.125E+00 DAV: 2 -0.133590535923E+04 -0.38228E-01 -0.42183E-01 1664 0.731E-01 0.615E-01 DAV: 3 -0.133590345923E+04 0.19000E-02 -0.80972E-03 1760 0.124E-01 0.393E-01 DAV: 4 -0.133590253266E+04 0.92657E-03 -0.77178E-03 1632 0.123E-01 0.128E-01 DAV: 5 -0.133590253209E+04 0.57578E-06 -0.13003E-03 1664 0.532E-02 0.743E-02 DAV: 6 -0.133590253663E+04 -0.45478E-05 -0.41551E-04 1504 0.259E-02 417 F= -.13548956E+04 E0= -.13548956E+04 d E =-.281276E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133590508159E+04 -0.25495E-02 -0.72102E+00 1408 0.314E+00 0.788E-01 DAV: 2 -0.133592197764E+04 -0.16896E-01 -0.18611E-01 1600 0.480E-01 0.342E-01 DAV: 3 -0.133592123908E+04 0.73856E-03 -0.33740E-03 1760 0.762E-02 0.223E-01 DAV: 4 -0.133592083399E+04 0.40509E-03 -0.30340E-03 1664 0.748E-02 0.791E-02 DAV: 5 -0.133592086206E+04 -0.28069E-04 -0.52249E-04 1664 0.314E-02 418 F= -.13549174E+04 E0= -.13549174E+04 d E =-.217893E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133586741686E+04 0.53417E-01 -0.29207E+01 1408 0.631E+00 0.159E+00 DAV: 2 -0.133593604027E+04 -0.68623E-01 -0.75477E-01 1632 0.964E-01 0.698E-01 DAV: 3 -0.133593290182E+04 0.31384E-02 -0.13657E-02 1696 0.155E-01 0.455E-01 DAV: 4 -0.133593107508E+04 0.18267E-02 -0.12701E-02 1664 0.153E-01 0.162E-01 DAV: 5 -0.133593111842E+04 -0.43337E-04 -0.21966E-03 1696 0.645E-02 0.832E-02 DAV: 6 -0.133593108905E+04 0.29370E-04 -0.57336E-04 1504 0.319E-02 419 F= -.13549342E+04 E0= -.13549342E+04 d E =-.386306E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133592665755E+04 0.44609E-02 -0.10929E+01 1408 0.379E+00 0.118E+00 DAV: 2 -0.133595358065E+04 -0.26923E-01 -0.29715E-01 1632 0.593E-01 0.531E-01 DAV: 3 -0.133595234799E+04 0.12327E-02 -0.58318E-03 1728 0.100E-01 0.335E-01 DAV: 4 -0.133595179612E+04 0.55187E-03 -0.48368E-03 1600 0.910E-02 0.103E-01 DAV: 5 -0.133595183116E+04 -0.35040E-04 -0.84307E-04 1696 0.403E-02 420 F= -.13549594E+04 E0= -.13549594E+04 d E =-.251986E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133591516405E+04 0.36632E-01 -0.18178E+01 1408 0.489E+00 0.153E+00 DAV: 2 -0.133596012005E+04 -0.44956E-01 -0.49615E-01 1632 0.766E-01 0.685E-01 DAV: 3 -0.133595807060E+04 0.20495E-02 -0.97199E-03 1728 0.130E-01 0.429E-01 DAV: 4 -0.133595718374E+04 0.88686E-03 -0.81189E-03 1600 0.117E-01 0.133E-01 DAV: 5 -0.133595722121E+04 -0.37478E-04 -0.13966E-03 1728 0.521E-02 0.770E-02 DAV: 6 -0.133595724227E+04 -0.21059E-04 -0.29833E-04 1504 0.228E-02 421 F= -.13549703E+04 E0= -.13549703E+04 d E =-.360643E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133595183402E+04 0.53872E-02 -0.10966E+01 1408 0.376E+00 0.109E+00 DAV: 2 -0.133597853132E+04 -0.26697E-01 -0.29363E-01 1632 0.579E-01 0.500E-01 DAV: 3 -0.133597734589E+04 0.11854E-02 -0.56281E-03 1728 0.948E-02 0.324E-01 DAV: 4 -0.133597670655E+04 0.63935E-03 -0.56631E-03 1632 0.100E-01 0.103E-01 DAV: 5 -0.133597674443E+04 -0.37886E-04 -0.10154E-03 1696 0.422E-02 0.628E-02 DAV: 6 -0.133597673895E+04 0.54772E-05 -0.21802E-04 1376 0.193E-02 422 F= -.13549954E+04 E0= -.13549954E+04 d E =-.251755E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133590382404E+04 0.72920E-01 -0.35488E+01 1408 0.676E+00 0.197E+00 DAV: 2 -0.133599069185E+04 -0.86868E-01 -0.95564E-01 1632 0.104E+00 0.911E-01 DAV: 3 -0.133598677746E+04 0.39144E-02 -0.18373E-02 1760 0.172E-01 0.593E-01 DAV: 4 -0.133598454326E+04 0.22342E-02 -0.18660E-02 1632 0.182E-01 0.189E-01 DAV: 5 -0.133598462223E+04 -0.78977E-04 -0.33177E-03 1696 0.768E-02 0.113E-01 DAV: 6 -0.133598456390E+04 0.58331E-04 -0.75880E-04 1568 0.354E-02 423 F= -.13550131E+04 E0= -.13550131E+04 d E =-.428656E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133597098222E+04 0.13640E-01 -0.17024E+01 1408 0.458E+00 0.123E+00 DAV: 2 -0.133601297021E+04 -0.41988E-01 -0.46048E-01 1664 0.709E-01 0.560E-01 DAV: 3 -0.133601121942E+04 0.17508E-02 -0.82812E-03 1696 0.113E-01 0.366E-01 DAV: 4 -0.133601021364E+04 0.10058E-02 -0.74300E-03 1600 0.111E-01 0.138E-01 DAV: 5 -0.133601028986E+04 -0.76220E-04 -0.12656E-03 1664 0.467E-02 0.634E-02 DAV: 6 -0.133601031358E+04 -0.23719E-04 -0.24602E-04 1376 0.208E-02 424 F= -.13550453E+04 E0= -.13550453E+04 d E =-.321696E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133597567736E+04 0.34613E-01 -0.19603E+01 1408 0.493E+00 0.132E+00 DAV: 2 -0.133602400497E+04 -0.48328E-01 -0.52887E-01 1664 0.761E-01 0.607E-01 DAV: 3 -0.133602192791E+04 0.20771E-02 -0.94588E-03 1696 0.122E-01 0.396E-01 DAV: 4 -0.133602073760E+04 0.11903E-02 -0.87469E-03 1600 0.120E-01 0.148E-01 DAV: 5 -0.133602081452E+04 -0.76923E-04 -0.14830E-03 1664 0.505E-02 0.681E-02 DAV: 6 -0.133602083230E+04 -0.17773E-04 -0.28853E-04 1472 0.223E-02 425 F= -.13550627E+04 E0= -.13550627E+04 d E =-.495533E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133602155976E+04 -0.74523E-03 -0.13263E+01 1408 0.413E+00 0.132E+00 DAV: 2 -0.133605412874E+04 -0.32569E-01 -0.37392E-01 1664 0.662E-01 0.682E-01 DAV: 3 -0.133605242831E+04 0.17004E-02 -0.84490E-03 1728 0.122E-01 0.422E-01 DAV: 4 -0.133605164509E+04 0.78321E-03 -0.67984E-03 1600 0.107E-01 0.138E-01 DAV: 5 -0.133605163099E+04 0.14101E-04 -0.11703E-03 1696 0.519E-02 0.683E-02 DAV: 6 -0.133605164396E+04 -0.12967E-04 -0.30686E-04 1504 0.244E-02 426 F= -.13550978E+04 E0= -.13550978E+04 d E =-.351256E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133603837706E+04 0.13254E-01 -0.81268E+00 1408 0.322E+00 0.104E+00 DAV: 2 -0.133605831731E+04 -0.19940E-01 -0.22903E-01 1632 0.518E-01 0.530E-01 DAV: 3 -0.133605725677E+04 0.10605E-02 -0.51780E-03 1760 0.961E-02 0.329E-01 DAV: 4 -0.133605676203E+04 0.49474E-03 -0.41623E-03 1600 0.844E-02 0.107E-01 DAV: 5 -0.133605675210E+04 0.99337E-05 -0.73216E-04 1664 0.415E-02 427 F= -.13551064E+04 E0= -.13551064E+04 d E =-.436810E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133603720669E+04 0.19555E-01 -0.16297E+01 1408 0.451E+00 0.145E+00 DAV: 2 -0.133607745547E+04 -0.40249E-01 -0.44685E-01 1632 0.699E-01 0.609E-01 DAV: 3 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DAV: 2 -0.133607557817E+04 -0.83721E-02 -0.91931E-02 1632 0.319E-01 0.281E-01 DAV: 3 -0.133607522485E+04 0.35332E-03 -0.19717E-03 1728 0.561E-02 0.174E-01 DAV: 4 -0.133607517051E+04 0.54341E-04 -0.19426E-03 1568 0.573E-02 0.603E-02 DAV: 5 -0.133607520759E+04 -0.37080E-04 -0.28986E-04 1472 0.230E-02 430 F= -.13551382E+04 E0= -.13551382E+04 d E =-.318561E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133607335579E+04 0.18147E-02 -0.87809E+00 1408 0.318E+00 0.919E-01 DAV: 2 -0.133609489083E+04 -0.21535E-01 -0.23556E-01 1632 0.488E-01 0.434E-01 DAV: 3 -0.133609391109E+04 0.97974E-03 -0.46636E-03 1696 0.822E-02 0.281E-01 DAV: 4 -0.133609338243E+04 0.52866E-03 -0.48760E-03 1600 0.863E-02 0.103E-01 DAV: 5 -0.133609341524E+04 -0.32816E-04 -0.78286E-04 1632 0.356E-02 431 F= -.13551627E+04 E0= -.13551627E+04 d E =-.244567E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133595768172E+04 0.13570E+00 -0.63081E+01 1408 0.852E+00 0.257E+00 DAV: 2 -0.133611650112E+04 -0.15882E+00 -0.17453E+00 1632 0.132E+00 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ncg rms rms(c) DAV: 1 -0.133602543721E+04 0.10569E+00 -0.47184E+01 1408 0.723E+00 0.235E+00 DAV: 2 -0.133614541907E+04 -0.11998E+00 -0.13145E+00 1632 0.113E+00 0.104E+00 DAV: 3 -0.133614025719E+04 0.51619E-02 -0.26240E-02 1728 0.194E-01 0.676E-01 DAV: 4 -0.133613703947E+04 0.32177E-02 -0.27099E-02 1632 0.200E-01 0.252E-01 DAV: 5 -0.133613705093E+04 -0.11463E-04 -0.43175E-03 1664 0.855E-02 0.127E-01 DAV: 6 -0.133613694613E+04 0.10480E-03 -0.11230E-03 1664 0.432E-02 0.613E-02 DAV: 7 -0.133613692970E+04 0.16431E-04 -0.15362E-04 1280 0.189E-02 434 F= -.13552493E+04 E0= -.13552493E+04 d E =-.569696E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133609928906E+04 0.37657E-01 -0.27253E+01 1408 0.553E+00 0.170E+00 DAV: 2 -0.133616760799E+04 -0.68319E-01 -0.74645E-01 1600 0.863E-01 0.733E-01 DAV: 3 -0.133616453790E+04 0.30701E-02 -0.14264E-02 1696 0.144E-01 0.466E-01 DAV: 4 -0.133616258843E+04 0.19495E-02 -0.13533E-02 1664 0.137E-01 0.184E-01 DAV: 5 -0.133616262529E+04 -0.36860E-04 -0.20742E-03 1664 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1632 0.855E-02 0.871E-02 DAV: 5 -0.133619240907E+04 -0.62076E-04 -0.76299E-04 1664 0.361E-02 437 F= -.13553269E+04 E0= -.13553269E+04 d E =-.312323E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133618838578E+04 0.39612E-02 -0.28930E+00 1408 0.196E+00 0.699E-01 DAV: 2 -0.133619522436E+04 -0.68386E-02 -0.77102E-02 1664 0.306E-01 0.300E-01 DAV: 3 -0.133619474998E+04 0.47438E-03 -0.17159E-03 1728 0.568E-02 0.167E-01 DAV: 4 -0.133619464879E+04 0.10119E-03 -0.12972E-03 1632 0.457E-02 0.455E-02 DAV: 5 -0.133619467822E+04 -0.29426E-04 -0.19811E-04 1344 0.197E-02 438 F= -.13553313E+04 E0= -.13553313E+04 d E =-.355906E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133619812152E+04 -0.34727E-02 -0.47478E+00 1408 0.264E+00 0.846E-01 DAV: 2 -0.133620905401E+04 -0.10932E-01 -0.12238E-01 1664 0.408E-01 0.363E-01 DAV: 3 -0.133620831753E+04 0.73649E-03 -0.28068E-03 1792 0.746E-02 0.203E-01 DAV: 4 -0.133620806332E+04 0.25421E-03 -0.18190E-03 1664 0.589E-02 0.602E-02 DAV: 5 -0.133620808057E+04 -0.17254E-04 -0.29572E-04 1408 0.268E-02 439 F= -.13553479E+04 E0= -.13553479E+04 d E =-.166478E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133620486575E+04 0.31976E-02 -0.20658E+00 1472 0.174E+00 0.564E-01 DAV: 2 -0.133620963664E+04 -0.47709E-02 -0.53536E-02 1632 0.270E-01 0.238E-01 DAV: 3 -0.133620931625E+04 0.32039E-03 -0.12216E-03 1792 0.497E-02 0.132E-01 DAV: 4 -0.133620921454E+04 0.10171E-03 -0.78849E-04 1632 0.394E-02 0.396E-02 DAV: 5 -0.133620923053E+04 -0.15991E-04 -0.12801E-04 1216 0.184E-02 440 F= -.13553512E+04 E0= -.13553512E+04 d E =-.199457E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133621005478E+04 -0.84023E-03 -0.57303E+00 1408 0.298E+00 0.936E-01 DAV: 2 -0.133622310950E+04 -0.13055E-01 -0.14481E-01 1600 0.457E-01 0.362E-01 DAV: 3 -0.133622241115E+04 0.69835E-03 -0.36052E-03 1728 0.818E-02 0.206E-01 DAV: 4 -0.133622219008E+04 0.22108E-03 -0.21973E-03 1696 0.658E-02 0.662E-02 DAV: 5 -0.133622220733E+04 -0.17256E-04 -0.36920E-04 1632 0.280E-02 441 F= -.13553686E+04 E0= -.13553686E+04 d E =-.173634E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133621960010E+04 0.25900E-02 -0.11631E+00 1472 0.134E+00 0.433E-01 DAV: 2 -0.133622229716E+04 -0.26971E-02 -0.30005E-02 1632 0.207E-01 0.166E-01 DAV: 3 -0.133622214811E+04 0.14905E-03 -0.69667E-04 1696 0.369E-02 0.936E-02 DAV: 4 -0.133622211445E+04 0.33653E-04 -0.46428E-04 1568 0.299E-02 442 F= -.13553705E+04 E0= -.13553705E+04 d E =-.192653E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133621862801E+04 0.35201E-02 -0.52240E+00 1408 0.287E+00 0.870E-01 DAV: 2 -0.133623002976E+04 -0.11402E-01 -0.13237E-01 1632 0.451E-01 0.415E-01 DAV: 3 -0.133622924708E+04 0.78268E-03 -0.37942E-03 1728 0.870E-02 0.233E-01 DAV: 4 -0.133622905134E+04 0.19574E-03 -0.19388E-03 1632 0.619E-02 0.791E-02 DAV: 5 -0.133622905620E+04 -0.48635E-05 -0.35743E-04 1600 0.305E-02 443 F= -.13553837E+04 E0= -.13553837E+04 d E =-.131894E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133622756111E+04 0.14902E-02 -0.27244E-01 1472 0.656E-01 0.207E-01 DAV: 2 -0.133622817947E+04 -0.61836E-03 -0.70427E-03 1600 0.103E-01 0.931E-02 DAV: 3 -0.133622814377E+04 0.35698E-04 -0.16913E-04 1344 0.195E-02 444 F= -.13553842E+04 E0= -.13553842E+04 d E =-.137074E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133622825712E+04 -0.77644E-04 -0.44162E+00 1408 0.265E+00 0.688E-01 DAV: 2 -0.133623727559E+04 -0.90185E-02 -0.10406E-01 1632 0.403E-01 0.293E-01 DAV: 3 -0.133623673957E+04 0.53601E-03 -0.27466E-03 1728 0.729E-02 0.166E-01 DAV: 4 -0.133623658365E+04 0.15592E-03 -0.13952E-03 1632 0.564E-02 0.555E-02 DAV: 5 -0.133623660126E+04 -0.17604E-04 -0.22813E-04 1376 0.255E-02 445 F= -.13553974E+04 E0= -.13553974E+04 d E =-.132222E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133623403004E+04 0.25536E-02 -0.95403E-01 1408 0.123E+00 0.324E-01 DAV: 2 -0.133623603721E+04 -0.20072E-02 -0.22926E-02 1632 0.188E-01 0.135E-01 DAV: 3 -0.133623592723E+04 0.10998E-03 -0.57020E-04 1696 0.340E-02 0.762E-02 DAV: 4 -0.133623591193E+04 0.15305E-04 -0.31607E-04 1440 0.268E-02 446 F= -.13553989E+04 E0= -.13553989E+04 d E =-.147420E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133623730513E+04 -0.13779E-02 -0.36023E+00 1408 0.241E+00 0.640E-01 DAV: 2 -0.133624485563E+04 -0.75505E-02 -0.84931E-02 1632 0.364E-01 0.252E-01 DAV: 3 -0.133624457769E+04 0.27794E-03 -0.24410E-03 1760 0.674E-02 0.149E-01 DAV: 4 -0.133624451853E+04 0.59153E-04 -0.10121E-03 1600 0.498E-02 0.526E-02 DAV: 5 -0.133624453904E+04 -0.20508E-04 -0.16811E-04 1248 0.227E-02 447 F= -.13554121E+04 E0= -.13554121E+04 d E =-.131486E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133623301172E+04 0.11507E-01 -0.57080E+00 1408 0.304E+00 0.810E-01 DAV: 2 -0.133624511427E+04 -0.12103E-01 -0.13537E-01 1696 0.458E-01 0.318E-01 DAV: 3 -0.133624459608E+04 0.51819E-03 -0.35831E-03 1760 0.822E-02 0.187E-01 DAV: 4 -0.133624448574E+04 0.11034E-03 -0.15414E-03 1664 0.611E-02 0.645E-02 DAV: 5 -0.133624450939E+04 -0.23650E-04 -0.27878E-04 1472 0.287E-02 448 F= -.13554177E+04 E0= -.13554177E+04 d E =-.188055E-01 N E dE d eps ncg rms rms(c) DAV: 1 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DAV: 5 -0.133624753718E+04 -0.29827E-04 -0.21874E-04 1312 0.256E-02 451 F= -.13554329E+04 E0= -.13554329E+04 d E =-.151606E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133624888571E+04 -0.13784E-02 -0.72057E-01 1504 0.107E+00 0.248E-01 DAV: 2 -0.133625036995E+04 -0.14842E-02 -0.16700E-02 1696 0.162E-01 0.114E-01 DAV: 3 -0.133625030601E+04 0.63941E-04 -0.46784E-04 1632 0.289E-02 452 F= -.13554336E+04 E0= -.13554336E+04 d E =-.158467E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133625105589E+04 -0.68594E-03 -0.24944E+00 1440 0.202E+00 0.512E-01 DAV: 2 -0.133625635812E+04 -0.53022E-02 -0.60911E-02 1632 0.311E-01 0.215E-01 DAV: 3 -0.133625607976E+04 0.27835E-03 -0.16315E-03 1728 0.564E-02 0.126E-01 DAV: 4 -0.133625599731E+04 0.82448E-04 -0.69020E-04 1632 0.391E-02 453 F= -.13554430E+04 E0= -.13554430E+04 d E =-.938032E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133625339173E+04 0.26880E-02 -0.15124E+00 1408 0.157E+00 0.411E-01 DAV: 2 -0.133625648568E+04 -0.30940E-02 -0.36376E-02 1632 0.241E-01 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E dE d eps ncg rms rms(c) DAV: 1 -0.133626561523E+04 0.18589E-02 -0.14516E+00 1408 0.154E+00 0.433E-01 DAV: 2 -0.133626878927E+04 -0.31740E-02 -0.36154E-02 1664 0.237E-01 0.180E-01 DAV: 3 -0.133626861901E+04 0.17026E-03 -0.98596E-04 1728 0.425E-02 0.107E-01 DAV: 4 -0.133626856783E+04 0.51183E-04 -0.52117E-04 1600 0.329E-02 460 F= -.13554673E+04 E0= -.13554673E+04 d E =-.953709E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133627290429E+04 -0.42853E-02 -0.11439E+00 1408 0.137E+00 0.411E-01 DAV: 2 -0.133627543192E+04 -0.25276E-02 -0.30692E-02 1664 0.222E-01 0.211E-01 DAV: 3 -0.133627525774E+04 0.17417E-03 -0.10320E-03 1728 0.449E-02 0.123E-01 DAV: 4 -0.133627520108E+04 0.56663E-04 -0.54838E-04 1536 0.342E-02 461 F= -.13554748E+04 E0= -.13554748E+04 d E =-.753349E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133627467651E+04 0.58123E-03 -0.15205E+00 1472 0.158E+00 0.487E-01 DAV: 2 -0.133627802724E+04 -0.33507E-02 -0.41053E-02 1664 0.256E-01 0.253E-01 DAV: 3 -0.133627778043E+04 0.24680E-03 -0.13933E-03 1760 0.522E-02 0.147E-01 DAV: 4 -0.133627768754E+04 0.92892E-04 -0.74459E-04 1536 0.404E-02 462 F= -.13554783E+04 E0= -.13554783E+04 d E =-.110657E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628045945E+04 -0.26790E-02 -0.14878E+00 1472 0.154E+00 0.501E-01 DAV: 2 -0.133628381146E+04 -0.33520E-02 -0.40361E-02 1664 0.249E-01 0.233E-01 DAV: 3 -0.133628365164E+04 0.15982E-03 -0.14099E-03 1760 0.505E-02 0.131E-01 DAV: 4 -0.133628361722E+04 0.34426E-04 -0.74039E-04 1568 0.385E-02 463 F= -.13554857E+04 E0= -.13554857E+04 d E =-.739815E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628424203E+04 -0.59038E-03 -0.47772E-01 1472 0.875E-01 0.294E-01 DAV: 2 -0.133628531095E+04 -0.10689E-02 -0.13156E-02 1728 0.143E-01 0.138E-01 DAV: 3 -0.133628526158E+04 0.49370E-04 -0.47618E-04 1696 0.299E-02 464 F= -.13554882E+04 E0= -.13554882E+04 d E =-.987664E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628107842E+04 0.42325E-02 -0.18896E+00 1472 0.174E+00 0.570E-01 DAV: 2 -0.133628512207E+04 -0.40436E-02 -0.49416E-02 1696 0.277E-01 0.268E-01 DAV: 3 -0.133628493185E+04 0.19021E-03 -0.19104E-03 1760 0.576E-02 0.151E-01 DAV: 4 -0.133628487574E+04 0.56109E-04 -0.84350E-04 1568 0.423E-02 465 F= -.13554895E+04 E0= -.13554895E+04 d E =-.111647E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628511150E+04 -0.17965E-03 -0.22165E-01 1536 0.598E-01 0.174E-01 DAV: 2 -0.133628563175E+04 -0.52025E-03 -0.58172E-03 1632 0.940E-02 0.810E-02 DAV: 3 -0.133628560904E+04 0.22715E-04 -0.17192E-04 1280 0.175E-02 466 F= -.13554897E+04 E0= -.13554897E+04 d E =-.113250E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628792650E+04 -0.22948E-02 -0.77963E-01 1472 0.110E+00 0.262E-01 DAV: 2 -0.133628969251E+04 -0.17660E-02 -0.20060E-02 1632 0.171E-01 0.119E-01 DAV: 3 -0.133628962768E+04 0.64830E-04 -0.55104E-04 1600 0.300E-02 467 F= -.13554951E+04 E0= -.13554951E+04 d E =-.537826E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628199191E+04 0.77006E-02 -0.69278E+00 1408 0.328E+00 0.779E-01 DAV: 2 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DAV: 2 -0.133629669413E+04 -0.25204E-01 -0.28756E-01 1632 0.650E-01 0.453E-01 DAV: 3 -0.133629583086E+04 0.86327E-03 -0.82973E-03 1728 0.116E-01 0.279E-01 DAV: 4 -0.133629535602E+04 0.47484E-03 -0.42107E-03 1632 0.927E-02 0.116E-01 DAV: 5 -0.133629535557E+04 0.44769E-06 -0.67635E-04 1760 0.419E-02 470 F= -.13555078E+04 E0= -.13555078E+04 d E =-.181086E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133629743184E+04 -0.20758E-02 -0.10489E+00 1408 0.128E+00 0.306E-01 DAV: 2 -0.133629974728E+04 -0.23154E-02 -0.25574E-02 1632 0.194E-01 0.140E-01 DAV: 3 -0.133629965020E+04 0.97084E-04 -0.66479E-04 1696 0.313E-02 471 F= -.13555139E+04 E0= -.13555139E+04 d E =-.607117E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628739017E+04 0.12357E-01 -0.93594E+00 1408 0.383E+00 0.936E-01 DAV: 2 -0.133630779315E+04 -0.20403E-01 -0.22868E-01 1632 0.579E-01 0.422E-01 DAV: 3 -0.133630702481E+04 0.76834E-03 -0.59959E-03 1728 0.959E-02 0.266E-01 DAV: 4 -0.133630664661E+04 0.37820E-03 -0.36931E-03 1664 0.886E-02 0.906E-02 DAV: 5 -0.133630665111E+04 -0.45060E-05 -0.64162E-04 1760 0.379E-02 472 F= -.13555262E+04 E0= -.13555262E+04 d E =-.184063E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133621696736E+04 0.89679E-01 -0.37660E+01 1408 0.767E+00 0.187E+00 DAV: 2 -0.133630207891E+04 -0.85112E-01 -0.94493E-01 1632 0.117E+00 0.833E-01 DAV: 3 -0.133629883026E+04 0.32486E-02 -0.23614E-02 1728 0.192E-01 0.532E-01 DAV: 4 -0.133629724706E+04 0.15832E-02 -0.16000E-02 1664 0.182E-01 0.186E-01 DAV: 5 -0.133629721716E+04 0.29901E-04 -0.27496E-03 1792 0.788E-02 0.100E-01 DAV: 6 -0.133629723172E+04 -0.14558E-04 -0.97214E-04 1600 0.402E-02 473 F= -.13555274E+04 E0= -.13555274E+04 d E =-.195958E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628760360E+04 0.96136E-02 -0.87581E+00 1408 0.370E+00 0.892E-01 DAV: 2 -0.133630711703E+04 -0.19513E-01 -0.21643E-01 1632 0.561E-01 0.395E-01 DAV: 3 -0.133630633044E+04 0.78659E-03 -0.54738E-03 1728 0.919E-02 0.245E-01 DAV: 4 -0.133630598420E+04 0.34624E-03 -0.35419E-03 1664 0.857E-02 0.853E-02 DAV: 5 -0.133630599406E+04 -0.98639E-05 -0.59196E-04 1728 0.361E-02 474 F= -.13555310E+04 E0= -.13555310E+04 d E =-.232556E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133630668879E+04 -0.70459E-03 -0.44054E+00 1408 0.262E+00 0.518E-01 DAV: 2 -0.133631618523E+04 -0.94964E-02 -0.10700E-01 1632 0.398E-01 0.251E-01 DAV: 3 -0.133631588216E+04 0.30308E-03 -0.28427E-03 1696 0.653E-02 0.162E-01 DAV: 4 -0.133631565578E+04 0.22637E-03 -0.13023E-03 1632 0.535E-02 0.678E-02 DAV: 5 -0.133631565178E+04 0.40045E-05 -0.22359E-04 1408 0.237E-02 475 F= -.13555437E+04 E0= -.13555437E+04 d E =-.126781E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133624847722E+04 0.67179E-01 -0.39638E+01 1408 0.786E+00 0.159E+00 DAV: 2 -0.133633551129E+04 -0.87034E-01 -0.98191E-01 1632 0.120E+00 0.752E-01 DAV: 3 -0.133633284835E+04 0.26629E-02 -0.25593E-02 1728 0.200E-01 0.489E-01 DAV: 4 -0.133633090859E+04 0.19398E-02 -0.12758E-02 1664 0.166E-01 0.207E-01 DAV: 5 -0.133633086088E+04 0.47706E-04 -0.21773E-03 1792 0.735E-02 0.922E-02 DAV: 6 -0.133633087524E+04 -0.14355E-04 -0.79312E-04 1600 0.395E-02 476 F= -.13555678E+04 E0= -.13555678E+04 d E =-.367741E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133631322181E+04 0.17639E-01 -0.80418E+00 1408 0.354E+00 0.724E-01 DAV: 2 -0.133633093163E+04 -0.17710E-01 -0.19957E-01 1632 0.541E-01 0.335E-01 DAV: 3 -0.133633042362E+04 0.50802E-03 -0.51823E-03 1728 0.893E-02 0.218E-01 DAV: 4 -0.133633006528E+04 0.35833E-03 -0.25306E-03 1568 0.748E-02 0.922E-02 DAV: 5 -0.133633008359E+04 -0.18311E-04 -0.46488E-04 1632 0.338E-02 477 F= -.13555709E+04 E0= -.13555709E+04 d E =-.398317E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133633244624E+04 -0.23810E-02 -0.46875E+00 1408 0.269E+00 0.585E-01 DAV: 2 -0.133634287367E+04 -0.10427E-01 -0.11779E-01 1632 0.411E-01 0.266E-01 DAV: 3 -0.133634258886E+04 0.28480E-03 -0.32204E-03 1696 0.717E-02 0.171E-01 DAV: 4 -0.133634242997E+04 0.15889E-03 -0.17759E-03 1632 0.618E-02 0.708E-02 DAV: 5 -0.133634244157E+04 -0.11599E-04 -0.29502E-04 1568 0.273E-02 478 F= -.13555859E+04 E0= -.13555859E+04 d E =-.150120E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628198018E+04 0.60450E-01 -0.42208E+01 1408 0.806E+00 0.176E+00 DAV: 2 -0.133637579366E+04 -0.93813E-01 -0.10578E+00 1632 0.123E+00 0.800E-01 DAV: 3 -0.133637305980E+04 0.27339E-02 -0.28976E-02 1728 0.212E-01 0.513E-01 DAV: 4 -0.133637125515E+04 0.18046E-02 -0.15379E-02 1664 0.181E-01 0.210E-01 DAV: 5 -0.133637120153E+04 0.53626E-04 -0.25764E-03 1760 0.791E-02 0.103E-01 DAV: 6 -0.133637121433E+04 -0.12802E-04 -0.11300E-03 1600 0.460E-02 0.419E-02 DAV: 7 -0.133637123737E+04 -0.23039E-04 -0.10854E-04 1248 0.181E-02 479 F= -.13556221E+04 E0= -.13556221E+04 d E =-.512333E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133601690172E+04 0.35431E+00 -0.16886E+02 1408 0.161E+01 0.360E+00 DAV: 2 -0.133639869133E+04 -0.38179E+00 -0.42891E+00 1632 0.246E+00 0.162E+00 DAV: 3 -0.133638713075E+04 0.11561E-01 -0.11545E-01 1760 0.426E-01 0.103E+00 DAV: 4 -0.133637951169E+04 0.76191E-02 -0.59585E-02 1600 0.357E-01 0.423E-01 DAV: 5 -0.133637933551E+04 0.17618E-03 -0.10270E-02 1856 0.156E-01 0.198E-01 DAV: 6 -0.133637933806E+04 -0.25509E-05 -0.38941E-03 1632 0.853E-02 0.831E-02 DAV: 7 -0.133637937809E+04 -0.40033E-04 -0.39812E-04 1600 0.339E-02 480 F= -.13556418E+04 E0= -.13556418E+04 d E =-.709798E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133635416309E+04 0.25175E-01 -0.14930E+01 1472 0.478E+00 0.103E+00 DAV: 2 -0.133638742042E+04 -0.33257E-01 -0.37209E-01 1632 0.725E-01 0.488E-01 DAV: 3 -0.133638652396E+04 0.89645E-03 -0.99650E-03 1728 0.124E-01 0.319E-01 DAV: 4 -0.133638607164E+04 0.45233E-03 -0.56113E-03 1632 0.108E-01 0.125E-01 DAV: 5 -0.133638612996E+04 -0.58328E-04 -0.92564E-04 1696 0.465E-02 481 F= -.13556457E+04 E0= -.13556457E+04 d E =-.747981E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133636990826E+04 0.16163E-01 -0.23690E+01 1472 0.604E+00 0.128E+00 DAV: 2 -0.133642219346E+04 -0.52285E-01 -0.58207E-01 1632 0.911E-01 0.602E-01 DAV: 3 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DAV: 1 -0.133641698594E+04 0.30556E-01 -0.43956E+01 1408 0.830E+00 0.160E+00 DAV: 2 -0.133650964823E+04 -0.92662E-01 -0.10313E+00 1664 0.123E+00 0.789E-01 DAV: 3 -0.133650616490E+04 0.34833E-02 -0.24946E-02 1728 0.202E-01 0.513E-01 DAV: 4 -0.133650420308E+04 0.19618E-02 -0.15520E-02 1664 0.179E-01 0.211E-01 DAV: 5 -0.133650419758E+04 0.54967E-05 -0.26002E-03 1760 0.787E-02 0.970E-02 DAV: 6 -0.133650427649E+04 -0.78911E-04 -0.99009E-04 1600 0.415E-02 484 F= -.13557734E+04 E0= -.13557734E+04 d E =-.567642E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133647074735E+04 0.33450E-01 -0.30821E+01 1408 0.695E+00 0.135E+00 DAV: 2 -0.133653560223E+04 -0.64855E-01 -0.72068E-01 1632 0.103E+00 0.658E-01 DAV: 3 -0.133653323237E+04 0.23699E-02 -0.17287E-02 1760 0.168E-01 0.425E-01 DAV: 4 -0.133653195216E+04 0.12802E-02 -0.10779E-02 1664 0.150E-01 0.173E-01 DAV: 5 -0.133653197779E+04 -0.25632E-04 -0.18163E-03 1792 0.657E-02 0.807E-02 DAV: 6 -0.133653205354E+04 -0.75753E-04 -0.65497E-04 1568 0.340E-02 485 F= -.13558003E+04 E0= -.13558003E+04 d E =-.836954E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133628865878E+04 0.24332E+00 -0.12304E+02 1408 0.139E+01 0.268E+00 DAV: 2 -0.133654993715E+04 -0.26128E+00 -0.28979E+00 1632 0.206E+00 0.133E+00 DAV: 3 -0.133653993342E+04 0.10004E-01 -0.69008E-02 1760 0.338E-01 0.866E-01 DAV: 4 -0.133653442790E+04 0.55055E-02 -0.44014E-02 1664 0.301E-01 0.353E-01 DAV: 5 -0.133653434925E+04 0.78654E-04 -0.72463E-03 1792 0.131E-01 0.163E-01 DAV: 6 -0.133653450237E+04 -0.15312E-03 -0.25555E-03 1632 0.665E-02 0.698E-02 DAV: 7 -0.133653456730E+04 -0.64926E-04 -0.24738E-04 1504 0.257E-02 486 F= -.13557993E+04 E0= -.13557993E+04 d E =-.826443E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133646749944E+04 0.67003E-01 -0.37874E+01 1408 0.769E+00 0.149E+00 DAV: 2 -0.133654652670E+04 -0.79027E-01 -0.87592E-01 1664 0.113E+00 0.729E-01 DAV: 3 -0.133654359387E+04 0.29328E-02 -0.21010E-02 1760 0.185E-01 0.461E-01 DAV: 4 -0.133654219372E+04 0.14002E-02 -0.13415E-02 1664 0.166E-01 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DAV: 4 -0.133705006946E+04 0.95578E-03 -0.80438E-03 1632 0.128E-01 0.129E-01 DAV: 5 -0.133705004633E+04 0.23132E-04 -0.13759E-03 1728 0.578E-02 0.656E-02 DAV: 6 -0.133705006756E+04 -0.21235E-04 -0.42776E-04 1568 0.276E-02 500 F= -.13562527E+04 E0= -.13562527E+04 d E =-.485462E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133702501428E+04 0.25032E-01 -0.26792E+01 1408 0.655E+00 0.136E+00 DAV: 2 -0.133708045011E+04 -0.55436E-01 -0.61540E-01 1632 0.970E-01 0.636E-01 DAV: 3 -0.133707764827E+04 0.28018E-02 -0.14487E-02 1824 0.166E-01 0.372E-01 DAV: 4 -0.133707654593E+04 0.11023E-02 -0.89706E-03 1664 0.138E-01 0.135E-01 DAV: 5 -0.133707652711E+04 0.18823E-04 -0.15979E-03 1760 0.626E-02 0.707E-02 DAV: 6 -0.133707655815E+04 -0.31042E-04 -0.50325E-04 1600 0.307E-02 501 F= -.13562713E+04 E0= -.13562713E+04 d E =-.671998E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133710274399E+04 -0.26217E-01 -0.10887E+01 1408 0.420E+00 0.959E-01 DAV: 2 -0.133712526728E+04 -0.22523E-01 -0.25488E-01 1664 0.627E-01 0.449E-01 DAV: 3 -0.133712426234E+04 0.10049E-02 -0.67230E-03 1824 0.112E-01 0.259E-01 DAV: 4 -0.133712387974E+04 0.38260E-03 -0.39370E-03 1632 0.902E-02 0.967E-02 DAV: 5 -0.133712387143E+04 0.83168E-05 -0.67938E-04 1696 0.403E-02 502 F= -.13563116E+04 E0= -.13563116E+04 d E =-.403019E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133711814301E+04 0.57367E-02 -0.24807E+01 1408 0.635E+00 0.145E+00 DAV: 2 -0.133716959318E+04 -0.51450E-01 -0.58381E-01 1632 0.948E-01 0.679E-01 DAV: 3 -0.133716709250E+04 0.25007E-02 -0.15228E-02 1792 0.171E-01 0.392E-01 DAV: 4 -0.133716605871E+04 0.10338E-02 -0.92871E-03 1632 0.138E-01 0.147E-01 DAV: 5 -0.133716598767E+04 0.71041E-04 -0.15676E-03 1760 0.613E-02 0.800E-02 DAV: 6 -0.133716598560E+04 0.20700E-05 -0.58913E-04 1600 0.314E-02 503 F= -.13563429E+04 E0= -.13563429E+04 d E =-.715793E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133718981822E+04 -0.23831E-01 -0.18719E+01 1408 0.552E+00 0.170E+00 DAV: 2 -0.133722996514E+04 -0.40147E-01 -0.44859E-01 1632 0.817E-01 0.511E-01 DAV: 3 -0.133722774228E+04 0.22229E-02 -0.11858E-02 1888 0.152E-01 0.283E-01 DAV: 4 -0.133722702327E+04 0.71900E-03 -0.64774E-03 1632 0.120E-01 0.112E-01 DAV: 5 -0.133722700950E+04 0.13769E-04 -0.10684E-03 1696 0.505E-02 0.705E-02 DAV: 6 -0.133722700806E+04 0.14435E-05 -0.43627E-04 1472 0.277E-02 504 F= -.13563975E+04 E0= -.13563975E+04 d E =-.546194E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133722275849E+04 0.42510E-02 -0.17596E+01 1408 0.535E+00 0.166E+00 DAV: 2 -0.133726049520E+04 -0.37737E-01 -0.42211E-01 1632 0.791E-01 0.498E-01 DAV: 3 -0.133725831879E+04 0.21764E-02 -0.11055E-02 1856 0.148E-01 0.275E-01 DAV: 4 -0.133725761410E+04 0.70469E-03 -0.60769E-03 1632 0.118E-01 0.108E-01 DAV: 5 -0.133725760210E+04 0.12000E-04 -0.10351E-03 1696 0.497E-02 0.691E-02 DAV: 6 -0.133725760263E+04 -0.52810E-06 -0.39224E-04 1440 0.266E-02 505 F= -.13564218E+04 E0= -.13564218E+04 d E =-.788636E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133726789417E+04 -0.10292E-01 -0.24292E+01 1408 0.621E+00 0.144E+00 DAV: 2 -0.133731801595E+04 -0.50122E-01 -0.55570E-01 1600 0.896E-01 0.604E-01 DAV: 3 -0.133731526762E+04 0.27483E-02 -0.12989E-02 1792 0.160E-01 0.375E-01 DAV: 4 -0.133731411012E+04 0.11575E-02 -0.96483E-03 1632 0.153E-01 0.133E-01 DAV: 5 -0.133731408528E+04 0.24836E-04 -0.19156E-03 1696 0.644E-02 0.878E-02 DAV: 6 -0.133731404248E+04 0.42804E-04 -0.74989E-04 1536 0.347E-02 506 F= -.13564703E+04 E0= -.13564703E+04 d E =-.485157E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133728562389E+04 0.28461E-01 -0.29243E+01 1408 0.681E+00 0.159E+00 DAV: 2 -0.133734598696E+04 -0.60363E-01 -0.67137E-01 1632 0.984E-01 0.665E-01 DAV: 3 -0.133734254284E+04 0.34441E-02 -0.15729E-02 1760 0.176E-01 0.412E-01 DAV: 4 -0.133734095203E+04 0.15908E-02 -0.11600E-02 1664 0.168E-01 0.147E-01 DAV: 5 -0.133734088147E+04 0.70561E-04 -0.23243E-03 1696 0.712E-02 0.970E-02 DAV: 6 -0.133734080466E+04 0.76813E-04 -0.91271E-04 1536 0.384E-02 507 F= -.13564879E+04 E0= -.13564879E+04 d E =-.661764E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133735348433E+04 -0.12603E-01 -0.10673E+01 1472 0.406E+00 0.782E-01 DAV: 2 -0.133737567942E+04 -0.22195E-01 -0.24403E-01 1632 0.582E-01 0.377E-01 DAV: 3 -0.133737479101E+04 0.88842E-03 -0.52085E-03 1824 0.965E-02 0.243E-01 DAV: 4 -0.133737436534E+04 0.42567E-03 -0.37760E-03 1632 0.936E-02 0.913E-02 DAV: 5 -0.133737435961E+04 0.57319E-05 -0.80111E-04 1664 0.408E-02 508 F= -.13565161E+04 E0= -.13565161E+04 d E =-.281564E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133725373199E+04 0.12063E+00 -0.95846E+01 1408 0.121E+01 0.231E+00 DAV: 2 -0.133745546987E+04 -0.20174E+00 -0.22232E+00 1632 0.175E+00 0.116E+00 DAV: 3 -0.133744740696E+04 0.80629E-02 -0.47781E-02 1760 0.292E-01 0.758E-01 DAV: 4 -0.133744335913E+04 0.40478E-02 -0.35744E-02 1632 0.280E-01 0.292E-01 DAV: 5 -0.133744317472E+04 0.18440E-03 -0.71160E-03 1760 0.122E-01 0.155E-01 DAV: 6 -0.133744317375E+04 0.97835E-06 -0.23983E-03 1632 0.630E-02 0.667E-02 DAV: 7 -0.133744313190E+04 0.41841E-04 -0.27496E-04 1472 0.268E-02 509 F= -.13565679E+04 E0= -.13565679E+04 d E =-.799612E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133664996974E+04 0.79320E+00 -0.38291E+02 1408 0.243E+01 0.463E+00 DAV: 2 -0.133749313189E+04 -0.84316E+00 -0.93256E+00 1632 0.357E+00 0.240E+00 DAV: 3 -0.133746007034E+04 0.33062E-01 -0.20724E-01 1824 0.598E-01 0.162E+00 DAV: 4 -0.133744174281E+04 0.18328E-01 -0.15566E-01 1696 0.573E-01 0.638E-01 DAV: 5 -0.133744053544E+04 0.12074E-02 -0.29596E-02 1792 0.250E-01 0.341E-01 DAV: 6 -0.133744051675E+04 0.18682E-04 -0.11287E-02 1728 0.138E-01 0.144E-01 DAV: 7 -0.133744027877E+04 0.23799E-03 -0.15324E-03 1632 0.603E-02 0.900E-02 DAV: 8 -0.133744027824E+04 0.52986E-06 -0.45657E-04 1664 0.346E-02 510 F= -.13565276E+04 E0= -.13565276E+04 d E =-.396957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133708588652E+04 0.35439E+00 -0.18645E+02 1408 0.170E+01 0.342E+00 DAV: 2 -0.133748691188E+04 -0.40103E+00 -0.43935E+00 1632 0.246E+00 0.159E+00 DAV: 3 -0.133746937444E+04 0.17537E-01 -0.98046E-02 1792 0.419E-01 0.962E-01 DAV: 4 -0.133746234920E+04 0.70252E-02 -0.66108E-02 1632 0.368E-01 0.371E-01 DAV: 5 -0.133746201659E+04 0.33261E-03 -0.12138E-02 1728 0.158E-01 0.196E-01 DAV: 6 -0.133746208030E+04 -0.63708E-04 -0.38553E-03 1664 0.773E-02 0.861E-02 DAV: 7 -0.133746203765E+04 0.42652E-04 -0.35162E-04 1504 0.302E-02 511 F= -.13565760E+04 E0= -.13565760E+04 d E =-.880380E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133747315857E+04 -0.11078E-01 -0.35617E+01 1408 0.739E+00 0.150E+00 DAV: 2 -0.133754776080E+04 -0.74602E-01 -0.84041E-01 1632 0.108E+00 0.817E-01 DAV: 3 -0.133754463702E+04 0.31238E-02 -0.21496E-02 1760 0.193E-01 0.507E-01 DAV: 4 -0.133754315488E+04 0.14821E-02 -0.15643E-02 1600 0.179E-01 0.195E-01 DAV: 5 -0.133754303666E+04 0.11822E-03 -0.29580E-03 1728 0.783E-02 0.110E-01 DAV: 6 -0.133754300451E+04 0.32150E-04 -0.10451E-03 1568 0.408E-02 0.434E-02 DAV: 7 -0.133754298066E+04 0.23847E-04 -0.10569E-04 1216 0.168E-02 512 F= -.13566449E+04 E0= -.13566449E+04 d E =-.689000E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133749242491E+04 0.50580E-01 -0.56358E+01 1408 0.930E+00 0.190E+00 DAV: 2 -0.133761137666E+04 -0.11895E+00 -0.13387E+00 1632 0.137E+00 0.102E+00 DAV: 3 -0.133760626535E+04 0.51113E-02 -0.34162E-02 1792 0.245E-01 0.632E-01 DAV: 4 -0.133760367445E+04 0.25909E-02 -0.24497E-02 1632 0.227E-01 0.241E-01 DAV: 5 -0.133760345715E+04 0.21730E-03 -0.47257E-03 1728 0.100E-01 0.138E-01 DAV: 6 -0.133760338273E+04 0.74415E-04 -0.16729E-03 1632 0.529E-02 0.556E-02 DAV: 7 -0.133760335052E+04 0.32212E-04 -0.17548E-04 1280 0.228E-02 513 F= -.13566895E+04 E0= -.13566895E+04 d E =-.113476E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133759009693E+04 0.13286E-01 -0.13229E+01 1408 0.452E+00 0.914E-01 DAV: 2 -0.133761796338E+04 -0.27866E-01 -0.31439E-01 1664 0.664E-01 0.494E-01 DAV: 3 -0.133761673710E+04 0.12263E-02 -0.80454E-03 1760 0.120E-01 0.310E-01 DAV: 4 -0.133761612910E+04 0.60800E-03 -0.58997E-03 1664 0.113E-01 0.119E-01 DAV: 5 -0.133761608052E+04 0.48582E-04 -0.11799E-03 1728 0.505E-02 0.686E-02 DAV: 6 -0.133761607266E+04 0.78600E-05 -0.38340E-04 1440 0.262E-02 514 F= -.13566943E+04 E0= -.13566943E+04 d E =-.118285E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133761786747E+04 -0.17869E-02 -0.42224E+01 1408 0.810E+00 0.191E+00 DAV: 2 -0.133770911097E+04 -0.91243E-01 -0.10227E+00 1632 0.119E+00 0.848E-01 DAV: 3 -0.133770492177E+04 0.41892E-02 -0.26680E-02 1824 0.214E-01 0.508E-01 DAV: 4 -0.133770307775E+04 0.18440E-02 -0.21476E-02 1664 0.208E-01 0.206E-01 DAV: 5 -0.133770289479E+04 0.18296E-03 -0.37648E-03 1696 0.856E-02 0.133E-01 DAV: 6 -0.133770279290E+04 0.10188E-03 -0.14156E-03 1568 0.453E-02 0.517E-02 DAV: 7 -0.133770277409E+04 0.18814E-04 -0.12954E-04 1280 0.175E-02 515 F= -.13567664E+04 E0= -.13567664E+04 d E =-.720870E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133765431206E+04 0.48481E-01 -0.52984E+01 1408 0.907E+00 0.214E+00 DAV: 2 -0.133776917022E+04 -0.11486E+00 -0.12847E+00 1632 0.133E+00 0.944E-01 DAV: 3 -0.133776374127E+04 0.54290E-02 -0.33206E-02 1792 0.240E-01 0.565E-01 DAV: 4 -0.133776130560E+04 0.24357E-02 -0.26850E-02 1632 0.233E-01 0.231E-01 DAV: 5 -0.133776107051E+04 0.23509E-03 -0.46804E-03 1728 0.956E-02 0.147E-01 DAV: 6 -0.133776094394E+04 0.12657E-03 -0.17316E-03 1536 0.503E-02 0.575E-02 DAV: 7 -0.133776092189E+04 0.22048E-04 -0.15981E-04 1280 0.194E-02 516 F= -.13568076E+04 E0= -.13568076E+04 d E =-.113300E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133775102649E+04 0.99175E-02 -0.11580E+01 1408 0.424E+00 0.999E-01 DAV: 2 -0.133777617276E+04 -0.25146E-01 -0.28153E-01 1632 0.623E-01 0.442E-01 DAV: 3 -0.133777494693E+04 0.12258E-02 -0.72071E-03 1728 0.112E-01 0.268E-01 DAV: 4 -0.133777442090E+04 0.52603E-03 -0.60880E-03 1632 0.111E-01 0.110E-01 DAV: 5 -0.133777437281E+04 0.48090E-04 -0.10954E-03 1696 0.460E-02 0.711E-02 DAV: 6 -0.133777435843E+04 0.14375E-04 -0.37461E-04 1440 0.235E-02 517 F= -.13568129E+04 E0= -.13568129E+04 d E =-.118624E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133774123554E+04 0.33137E-01 -0.68366E+01 1408 0.102E+01 0.224E+00 DAV: 2 -0.133789635834E+04 -0.15512E+00 -0.17365E+00 1664 0.153E+00 0.107E+00 DAV: 3 -0.133788971786E+04 0.66405E-02 -0.41805E-02 1760 0.269E-01 0.673E-01 DAV: 4 -0.133788681453E+04 0.29033E-02 -0.26930E-02 1600 0.220E-01 0.301E-01 DAV: 5 -0.133788655001E+04 0.26453E-03 -0.49043E-03 1824 0.103E-01 0.134E-01 DAV: 6 -0.133788661804E+04 -0.68035E-04 -0.12299E-03 1568 0.496E-02 0.505E-02 DAV: 7 -0.133788661741E+04 0.63014E-06 -0.15219E-04 1216 0.203E-02 518 F= -.13569116E+04 E0= -.13569116E+04 d E =-.987108E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133767989447E+04 0.20672E+00 -0.13086E+02 1408 0.142E+01 0.308E+00 DAV: 2 -0.133797779064E+04 -0.29790E+00 -0.33335E+00 1664 0.212E+00 0.149E+00 DAV: 3 -0.133796514911E+04 0.12642E-01 -0.80642E-02 1760 0.370E-01 0.941E-01 DAV: 4 -0.133795935543E+04 0.57937E-02 -0.51098E-02 1632 0.302E-01 0.420E-01 DAV: 5 -0.133795884986E+04 0.50557E-03 -0.90704E-03 1792 0.141E-01 0.188E-01 DAV: 6 -0.133795900444E+04 -0.15458E-03 -0.25598E-03 1632 0.706E-02 0.721E-02 DAV: 7 -0.133795900613E+04 -0.16908E-05 -0.34295E-04 1568 0.287E-02 519 F= -.13569643E+04 E0= -.13569643E+04 d E =-.151373E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133794387006E+04 0.15134E-01 -0.63502E+01 1408 0.978E+00 0.223E+00 DAV: 2 -0.133809001550E+04 -0.14615E+00 -0.15992E+00 1600 0.145E+00 0.959E-01 DAV: 3 -0.133808413282E+04 0.58827E-02 -0.38318E-02 1696 0.255E-01 0.635E-01 DAV: 4 -0.133808083108E+04 0.33017E-02 -0.32449E-02 1664 0.260E-01 0.264E-01 DAV: 5 -0.133808064915E+04 0.18192E-03 -0.61795E-03 1696 0.108E-01 0.158E-01 DAV: 6 -0.133808046670E+04 0.18246E-03 -0.25102E-03 1536 0.602E-02 0.638E-02 DAV: 7 -0.133808044428E+04 0.22419E-04 -0.20848E-04 1312 0.250E-02 520 F= -.13570720E+04 E0= -.13570720E+04 d E =-.107776E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133734005412E+04 0.74041E+00 -0.39255E+02 1408 0.244E+01 0.555E+00 DAV: 2 -0.133827213706E+04 -0.93208E+00 -0.10208E+01 1568 0.366E+00 0.246E+00 DAV: 3 -0.133823466189E+04 0.37475E-01 -0.24450E-01 1760 0.640E-01 0.168E+00 DAV: 4 -0.133821172659E+04 0.22935E-01 -0.17686E-01 1664 0.603E-01 0.703E-01 DAV: 5 -0.133821051871E+04 0.12079E-02 -0.33487E-02 1728 0.258E-01 0.366E-01 DAV: 6 -0.133820962305E+04 0.89566E-03 -0.13368E-02 1632 0.144E-01 0.165E-01 DAV: 7 -0.133820927421E+04 0.34883E-03 -0.13262E-03 1728 0.632E-02 0.101E-01 DAV: 8 -0.133820919636E+04 0.77851E-04 -0.35878E-04 1600 0.378E-02 521 F= -.13571635E+04 E0= -.13571635E+04 d E =-.199208E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133816599400E+04 0.43280E-01 -0.18671E+01 1408 0.531E+00 0.123E+00 DAV: 2 -0.133820908724E+04 -0.43093E-01 -0.46996E-01 1600 0.787E-01 0.518E-01 DAV: 3 -0.133820757318E+04 0.15141E-02 -0.11499E-02 1792 0.140E-01 0.331E-01 DAV: 4 -0.133820718964E+04 0.38354E-03 -0.10122E-02 1632 0.140E-01 0.143E-01 DAV: 5 -0.133820722987E+04 -0.40227E-04 -0.17294E-03 1696 0.569E-02 0.864E-02 DAV: 6 -0.133820728523E+04 -0.55359E-04 -0.69905E-04 1536 0.308E-02 522 F= -.13571702E+04 E0= -.13571702E+04 d E =-.205884E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133817260055E+04 0.34629E-01 -0.83751E+01 1408 0.114E+01 0.253E+00 DAV: 2 -0.133836983660E+04 -0.19724E+00 -0.21571E+00 1632 0.173E+00 0.116E+00 DAV: 3 -0.133836258715E+04 0.72494E-02 -0.54882E-02 1824 0.309E-01 0.727E-01 DAV: 4 -0.133835850966E+04 0.40775E-02 -0.35021E-02 1600 0.267E-01 0.312E-01 DAV: 5 -0.133835823192E+04 0.27774E-03 -0.61706E-03 1760 0.115E-01 0.152E-01 DAV: 6 -0.133835818881E+04 0.43108E-04 -0.20928E-03 1568 0.615E-02 0.586E-02 DAV: 7 -0.133835817709E+04 0.11725E-04 -0.23336E-04 1344 0.241E-02 523 F= -.13573012E+04 E0= -.13573012E+04 d E =-.131060E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133823283801E+04 0.12535E+00 -0.80436E+01 1408 0.111E+01 0.249E+00 DAV: 2 -0.133842297197E+04 -0.19013E+00 -0.20777E+00 1632 0.169E+00 0.113E+00 DAV: 3 -0.133841592087E+04 0.70511E-02 -0.52488E-02 1856 0.303E-01 0.712E-01 DAV: 4 -0.133841195374E+04 0.39671E-02 -0.33838E-02 1600 0.265E-01 0.303E-01 DAV: 5 -0.133841170899E+04 0.24475E-03 -0.60942E-03 1760 0.115E-01 0.150E-01 DAV: 6 -0.133841168131E+04 0.27682E-04 -0.20375E-03 1568 0.610E-02 0.585E-02 DAV: 7 -0.133841169888E+04 -0.17576E-04 -0.23049E-04 1344 0.247E-02 524 F= -.13573333E+04 E0= -.13573333E+04 d E =-.163158E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133842074334E+04 -0.90620E-02 -0.43097E+01 1408 0.833E+00 0.241E+00 DAV: 2 -0.133852144400E+04 -0.10070E+00 -0.11221E+00 1632 0.128E+00 0.984E-01 DAV: 3 -0.133851606922E+04 0.53748E-02 -0.32906E-02 1856 0.255E-01 0.555E-01 DAV: 4 -0.133851409035E+04 0.19789E-02 -0.19451E-02 1632 0.203E-01 0.228E-01 DAV: 5 -0.133851398350E+04 0.10685E-03 -0.31810E-03 1760 0.843E-02 0.137E-01 DAV: 6 -0.133851399051E+04 -0.70110E-05 -0.94904E-04 1536 0.390E-02 525 F= -.13574195E+04 E0= -.13574195E+04 d E =-.861460E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133851696861E+04 -0.29851E-02 -0.44634E+00 1408 0.268E+00 0.796E-01 DAV: 2 -0.133852754421E+04 -0.10576E-01 -0.11833E-01 1632 0.414E-01 0.318E-01 DAV: 3 -0.133852701706E+04 0.52716E-03 -0.34343E-03 1760 0.835E-02 0.180E-01 DAV: 4 -0.133852685242E+04 0.16464E-03 -0.20779E-03 1632 0.679E-02 0.749E-02 DAV: 5 -0.133852686526E+04 -0.12848E-04 -0.34579E-04 1632 0.283E-02 526 F= -.13574269E+04 E0= -.13574269E+04 d E =-.935913E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133858272594E+04 -0.55874E-01 -0.77998E+00 1408 0.368E+00 0.106E+00 DAV: 2 -0.133859918015E+04 -0.16454E-01 -0.19816E-01 1632 0.562E-01 0.402E-01 DAV: 3 -0.133859778118E+04 0.13990E-02 -0.63565E-03 1824 0.117E-01 0.222E-01 DAV: 4 -0.133859728127E+04 0.49991E-03 -0.36100E-03 1696 0.870E-02 0.994E-02 DAV: 5 -0.133859722829E+04 0.52977E-04 -0.59720E-04 1696 0.398E-02 527 F= -.13574960E+04 E0= -.13574960E+04 d E =-.690729E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133859404505E+04 0.32362E-02 -0.32617E+01 1408 0.754E+00 0.219E+00 DAV: 2 -0.133866248724E+04 -0.68442E-01 -0.82210E-01 1632 0.115E+00 0.825E-01 DAV: 3 -0.133865654143E+04 0.59458E-02 -0.26326E-02 1792 0.237E-01 0.454E-01 DAV: 4 -0.133865428755E+04 0.22539E-02 -0.14599E-02 1696 0.175E-01 0.200E-01 DAV: 5 -0.133865401282E+04 0.27474E-03 -0.24801E-03 1856 0.810E-02 0.102E-01 DAV: 6 -0.133865397343E+04 0.39389E-04 -0.71946E-04 1568 0.363E-02 528 F= -.13575498E+04 E0= -.13575498E+04 d E =-.122946E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133868219298E+04 -0.28180E-01 -0.22309E+00 1408 0.199E+00 0.526E-01 DAV: 2 -0.133868693354E+04 -0.47406E-02 -0.53710E-02 1632 0.295E-01 0.189E-01 DAV: 3 -0.133868660724E+04 0.32630E-03 -0.13999E-03 1696 0.565E-02 0.104E-01 DAV: 4 -0.133868654779E+04 0.59453E-04 -0.10440E-03 1536 0.489E-02 0.441E-02 DAV: 5 -0.133868656623E+04 -0.18445E-04 -0.17371E-04 1376 0.211E-02 529 F= -.13575830E+04 E0= -.13575830E+04 d E =-.331405E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133871745212E+04 -0.30904E-01 -0.20010E+01 1408 0.594E+00 0.156E+00 DAV: 2 -0.133875957520E+04 -0.42123E-01 -0.48299E-01 1632 0.884E-01 0.582E-01 DAV: 3 -0.133875620497E+04 0.33702E-02 -0.12911E-02 1760 0.171E-01 0.316E-01 DAV: 4 -0.133875509452E+04 0.11104E-02 -0.97271E-03 1600 0.147E-01 0.133E-01 DAV: 5 -0.133875498738E+04 0.10714E-03 -0.15944E-03 1696 0.618E-02 0.828E-02 DAV: 6 -0.133875497344E+04 0.13939E-04 -0.67708E-04 1504 0.320E-02 530 F= -.13576530E+04 E0= -.13576530E+04 d E =-.103140E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133860844390E+04 0.14654E+00 -0.80148E+01 1408 0.119E+01 0.315E+00 DAV: 2 -0.133877735861E+04 -0.16891E+00 -0.19296E+00 1632 0.177E+00 0.116E+00 DAV: 3 -0.133876392617E+04 0.13432E-01 -0.51344E-02 1728 0.338E-01 0.629E-01 DAV: 4 -0.133875925625E+04 0.46699E-02 -0.36894E-02 1632 0.288E-01 0.258E-01 DAV: 5 -0.133875884694E+04 0.40932E-03 -0.60504E-03 1696 0.120E-01 0.166E-01 DAV: 6 -0.133875874016E+04 0.10677E-03 -0.25071E-03 1568 0.620E-02 0.725E-02 DAV: 7 -0.133875876226E+04 -0.22098E-04 -0.18288E-04 1280 0.271E-02 531 F= -.13576598E+04 E0= -.13576598E+04 d E =-.109907E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133874658342E+04 0.12157E-01 -0.17190E+01 1408 0.550E+00 0.144E+00 DAV: 2 -0.133878317518E+04 -0.36592E-01 -0.41759E-01 1664 0.820E-01 0.552E-01 DAV: 3 -0.133878042628E+04 0.27489E-02 -0.10815E-02 1728 0.158E-01 0.303E-01 DAV: 4 -0.133877979850E+04 0.62778E-03 -0.88259E-03 1664 0.136E-01 0.127E-01 DAV: 5 -0.133877973277E+04 0.65731E-04 -0.14065E-03 1728 0.579E-02 0.759E-02 DAV: 6 -0.133877977852E+04 -0.45753E-04 -0.59140E-04 1536 0.293E-02 532 F= -.13576794E+04 E0= -.13576794E+04 d E =-.129574E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.133881199804E+04 -0.32265E-01 -0.34683E+00 1408 0.252E+00 0.712E-01 DAV: 2 -0.133881950901E+04 -0.75110E-02 -0.88342E-02 1632 0.385E-01 0.281E-01 DAV: 3 -0.133881882686E+04 0.68216E-03 -0.26808E-03 1760 0.786E-02 0.153E-01 DAV: 4 -0.133881864923E+04 0.17763E-03 -0.16673E-03 1632 0.598E-02 0.594E-02 DAV: 5 -0.133881862919E+04 0.20040E-04 -0.29939E-04 1536 0.270E-02 533 F= -.13577184E+04 E0= -.13577184E+04 d E =-.389717E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133881766074E+04 0.98849E-03 -0.22077E+01 1408 0.635E+00 0.179E+00 DAV: 2 -0.133886565919E+04 -0.47998E-01 -0.56326E-01 1664 0.970E-01 0.706E-01 DAV: 3 -0.133886138452E+04 0.42747E-02 -0.16812E-02 1728 0.196E-01 0.392E-01 DAV: 4 -0.133886016486E+04 0.12197E-02 -0.10615E-02 1600 0.151E-01 0.153E-01 DAV: 5 -0.133886003282E+04 0.13204E-03 -0.20427E-03 1792 0.692E-02 0.866E-02 DAV: 6 -0.133886002525E+04 0.75690E-05 -0.45674E-04 1504 0.282E-02 534 F= -.13577599E+04 E0= -.13577599E+04 d E =-.805193E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133889677058E+04 -0.36738E-01 -0.70246E+00 1408 0.355E+00 0.992E-01 DAV: 2 -0.133891173097E+04 -0.14960E-01 -0.17738E-01 1696 0.537E-01 0.340E-01 DAV: 3 -0.133891069536E+04 0.10356E-02 -0.52172E-03 1824 0.103E-01 0.191E-01 DAV: 4 -0.133891047140E+04 0.22396E-03 -0.29080E-03 1600 0.738E-02 0.818E-02 DAV: 5 -0.133891046389E+04 0.75120E-05 -0.47423E-04 1632 0.340E-02 535 F= -.13578095E+04 E0= -.13578095E+04 d E =-.496056E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133887214412E+04 0.38327E-01 -0.46411E+01 1408 0.914E+00 0.256E+00 DAV: 2 -0.133897090645E+04 -0.98762E-01 -0.11734E+00 1728 0.138E+00 0.885E-01 DAV: 3 -0.133896356166E+04 0.73448E-02 -0.34888E-02 1824 0.267E-01 0.494E-01 DAV: 4 -0.133896164987E+04 0.19118E-02 -0.19662E-02 1632 0.192E-01 0.212E-01 DAV: 5 -0.133896144160E+04 0.20827E-03 -0.32491E-03 1824 0.880E-02 0.107E-01 DAV: 6 -0.133896150551E+04 -0.63906E-04 -0.78671E-04 1568 0.360E-02 536 F= -.13578582E+04 E0= -.13578582E+04 d E =-.982741E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133898602799E+04 -0.24586E-01 -0.75767E+00 1408 0.369E+00 0.876E-01 DAV: 2 -0.133900230323E+04 -0.16275E-01 -0.18663E-01 1696 0.558E-01 0.366E-01 DAV: 3 -0.133900128873E+04 0.10145E-02 -0.51814E-03 1728 0.106E-01 0.206E-01 DAV: 4 -0.133900105606E+04 0.23267E-03 -0.28297E-03 1664 0.758E-02 0.765E-02 DAV: 5 -0.133900105089E+04 0.51738E-05 -0.51002E-04 1696 0.365E-02 537 F= -.13578968E+04 E0= -.13578968E+04 d E =-.385550E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133896292984E+04 0.38126E-01 -0.34405E+01 1408 0.787E+00 0.186E+00 DAV: 2 -0.133903671453E+04 -0.73785E-01 -0.84883E-01 1696 0.119E+00 0.793E-01 DAV: 3 -0.133903185805E+04 0.48565E-02 -0.23780E-02 1760 0.228E-01 0.441E-01 DAV: 4 -0.133903049064E+04 0.13674E-02 -0.13180E-02 1632 0.164E-01 0.165E-01 DAV: 5 -0.133903036913E+04 0.12151E-03 -0.23464E-03 1792 0.782E-02 0.802E-02 DAV: 6 -0.133903041125E+04 -0.42121E-04 -0.46686E-04 1600 0.279E-02 538 F= -.13579238E+04 E0= -.13579238E+04 d E =-.655901E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133905288533E+04 -0.22516E-01 -0.92808E+00 1408 0.407E+00 0.904E-01 DAV: 2 -0.133907226015E+04 -0.19375E-01 -0.21415E-01 1600 0.599E-01 0.355E-01 DAV: 3 -0.133907108850E+04 0.11716E-02 -0.56696E-03 1792 0.107E-01 0.213E-01 DAV: 4 -0.133907063867E+04 0.44984E-03 -0.37381E-03 1664 0.977E-02 0.733E-02 DAV: 5 -0.133907065818E+04 -0.19512E-04 -0.75072E-04 1696 0.399E-02 539 F= -.13579618E+04 E0= -.13579618E+04 d E =-.379450E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133903644423E+04 0.34194E-01 -0.33503E+01 1408 0.772E+00 0.174E+00 DAV: 2 -0.133910642397E+04 -0.69980E-01 -0.77456E-01 1632 0.114E+00 0.682E-01 DAV: 3 -0.133910190686E+04 0.45171E-02 -0.20506E-02 1760 0.206E-01 0.404E-01 DAV: 4 -0.133910007035E+04 0.18365E-02 -0.13677E-02 1632 0.189E-01 0.141E-01 DAV: 5 -0.133910006826E+04 0.20895E-05 -0.27979E-03 1696 0.777E-02 0.977E-02 DAV: 6 -0.133910002670E+04 0.41557E-04 -0.77751E-04 1504 0.350E-02 540 F= -.13579864E+04 E0= -.13579864E+04 d E =-.626266E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133913136840E+04 -0.31300E-01 -0.81276E+00 1408 0.380E+00 0.847E-01 DAV: 2 -0.133914865469E+04 -0.17286E-01 -0.19418E-01 1664 0.569E-01 0.338E-01 DAV: 3 -0.133914796322E+04 0.69147E-03 -0.57679E-03 1856 0.106E-01 0.199E-01 DAV: 4 -0.133914773802E+04 0.22520E-03 -0.27141E-03 1600 0.793E-02 0.805E-02 DAV: 5 -0.133914775635E+04 -0.18328E-04 -0.44741E-04 1632 0.357E-02 541 F= -.13580295E+04 E0= -.13580295E+04 d E =-.430215E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133908391701E+04 0.63821E-01 -0.67212E+01 1408 0.109E+01 0.243E+00 DAV: 2 -0.133922689966E+04 -0.14298E+00 -0.16096E+00 1664 0.164E+00 0.988E-01 DAV: 3 -0.133922058151E+04 0.63182E-02 -0.48138E-02 1888 0.306E-01 0.580E-01 DAV: 4 -0.133921804334E+04 0.25382E-02 -0.22745E-02 1600 0.226E-01 0.234E-01 DAV: 5 -0.133921786722E+04 0.17612E-03 -0.37992E-03 1888 0.104E-01 0.127E-01 DAV: 6 -0.133921798894E+04 -0.12172E-03 -0.11287E-03 1600 0.465E-02 0.555E-02 DAV: 7 -0.133921801560E+04 -0.26669E-04 -0.10756E-04 1088 0.180E-02 542 F= -.13580854E+04 E0= -.13580854E+04 d E =-.989932E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133925080882E+04 -0.32820E-01 -0.11178E+01 1408 0.451E+00 0.122E+00 DAV: 2 -0.133927452236E+04 -0.23714E-01 -0.27656E-01 1664 0.684E-01 0.527E-01 DAV: 3 -0.133927284869E+04 0.16737E-02 -0.85571E-03 1760 0.132E-01 0.317E-01 DAV: 4 -0.133927234301E+04 0.50569E-03 -0.67718E-03 1600 0.124E-01 0.110E-01 DAV: 5 -0.133927228177E+04 0.61237E-04 -0.11955E-03 1696 0.532E-02 0.740E-02 DAV: 6 -0.133927228517E+04 -0.33978E-05 -0.52438E-04 1504 0.284E-02 543 F= -.13581308E+04 E0= -.13581308E+04 d E =-.453900E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133928003816E+04 -0.77564E-02 -0.86828E+00 1408 0.397E+00 0.108E+00 DAV: 2 -0.133929849012E+04 -0.18452E-01 -0.21510E-01 1664 0.603E-01 0.469E-01 DAV: 3 -0.133929720874E+04 0.12814E-02 -0.66218E-03 1760 0.116E-01 0.283E-01 DAV: 4 -0.133929680404E+04 0.40469E-03 -0.52246E-03 1632 0.109E-01 0.971E-02 DAV: 5 -0.133929676077E+04 0.43271E-04 -0.93868E-04 1696 0.471E-02 544 F= -.13581473E+04 E0= -.13581473E+04 d E =-.618951E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133932890545E+04 -0.32101E-01 -0.78853E+00 1408 0.379E+00 0.980E-01 DAV: 2 -0.133934620194E+04 -0.17296E-01 -0.21736E-01 1792 0.595E-01 0.488E-01 DAV: 3 -0.133934466392E+04 0.15380E-02 -0.74086E-03 1824 0.124E-01 0.267E-01 DAV: 4 -0.133934442753E+04 0.23639E-03 -0.43198E-03 1632 0.882E-02 0.117E-01 DAV: 5 -0.133934439390E+04 0.33627E-04 -0.73238E-04 1792 0.453E-02 545 F= -.13581880E+04 E0= -.13581880E+04 d E =-.406584E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133934408191E+04 0.34563E-03 -0.14660E+01 1408 0.517E+00 0.133E+00 DAV: 2 -0.133937540366E+04 -0.31322E-01 -0.39558E-01 1792 0.806E-01 0.657E-01 DAV: 3 -0.133937277055E+04 0.26331E-02 -0.13415E-02 1760 0.166E-01 0.366E-01 DAV: 4 -0.133937221028E+04 0.56027E-03 -0.93620E-03 1600 0.129E-01 0.165E-01 DAV: 5 -0.133937203429E+04 0.17599E-03 -0.15779E-03 1856 0.644E-02 0.721E-02 DAV: 6 -0.133937205817E+04 -0.23871E-04 -0.35892E-04 1504 0.253E-02 546 F= -.13582059E+04 E0= -.13582059E+04 d E =-.586130E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133939270016E+04 -0.20666E-01 -0.50125E+00 1408 0.302E+00 0.793E-01 DAV: 2 -0.133940350127E+04 -0.10801E-01 -0.13108E-01 1696 0.457E-01 0.323E-01 DAV: 3 -0.133940267920E+04 0.82207E-03 -0.41375E-03 1792 0.930E-02 0.191E-01 DAV: 4 -0.133940254713E+04 0.13207E-03 -0.29412E-03 1600 0.739E-02 0.848E-02 DAV: 5 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DAV: 5 -0.133947096089E+04 0.14952E-04 -0.61941E-04 1664 0.376E-02 549 F= -.13582764E+04 E0= -.13582764E+04 d E =-.235608E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133947610158E+04 -0.51257E-02 -0.28155E+00 1408 0.227E+00 0.651E-01 DAV: 2 -0.133948236186E+04 -0.62603E-02 -0.71504E-02 1664 0.344E-01 0.284E-01 DAV: 3 -0.133948187310E+04 0.48876E-03 -0.19388E-03 1728 0.690E-02 0.167E-01 DAV: 4 -0.133948180736E+04 0.65741E-04 -0.18398E-03 1632 0.629E-02 0.581E-02 DAV: 5 -0.133948178699E+04 0.20369E-04 -0.34962E-04 1536 0.287E-02 550 F= -.13582830E+04 E0= -.13582830E+04 d E =-.301376E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133950128357E+04 -0.19476E-01 -0.21199E+00 1408 0.194E+00 0.631E-01 DAV: 2 -0.133950595374E+04 -0.46702E-02 -0.54414E-02 1664 0.297E-01 0.206E-01 DAV: 3 -0.133950555181E+04 0.40193E-03 -0.15978E-03 1696 0.604E-02 0.113E-01 DAV: 4 -0.133950547244E+04 0.79369E-04 -0.11186E-03 1632 0.466E-02 0.474E-02 DAV: 5 -0.133950546235E+04 0.10093E-04 -0.17148E-04 1280 0.218E-02 551 F= -.13583043E+04 E0= -.13583043E+04 d E =-.212936E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133951046695E+04 -0.49945E-02 -0.86851E+00 1408 0.394E+00 0.128E+00 DAV: 2 -0.133952942941E+04 -0.18962E-01 -0.22191E-01 1664 0.599E-01 0.420E-01 DAV: 3 -0.133952768529E+04 0.17441E-02 -0.64750E-03 1696 0.121E-01 0.228E-01 DAV: 4 -0.133952725902E+04 0.42627E-03 -0.46087E-03 1600 0.951E-02 0.951E-02 DAV: 5 -0.133952719611E+04 0.62911E-04 -0.79948E-04 1792 0.449E-02 552 F= -.13583212E+04 E0= -.13583212E+04 d E =-.382236E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133954134282E+04 -0.14084E-01 -0.15797E+00 1408 0.169E+00 0.442E-01 DAV: 2 -0.133954462608E+04 -0.32833E-02 -0.38988E-02 1664 0.255E-01 0.180E-01 DAV: 3 -0.133954437821E+04 0.24787E-03 -0.11393E-03 1760 0.499E-02 0.105E-01 DAV: 4 -0.133954429451E+04 0.83704E-04 -0.84049E-04 1536 0.427E-02 553 F= -.13583353E+04 E0= -.13583353E+04 d E =-.140370E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133955254794E+04 -0.81697E-02 -0.40538E+00 1408 0.271E+00 0.708E-01 DAV: 2 -0.133956079847E+04 -0.82505E-02 -0.10005E-01 1664 0.410E-01 0.300E-01 DAV: 3 -0.133956013696E+04 0.66151E-03 -0.31014E-03 1760 0.813E-02 0.173E-01 DAV: 4 -0.133955987083E+04 0.26613E-03 -0.22114E-03 1600 0.694E-02 0.702E-02 DAV: 5 -0.133955984079E+04 0.30046E-04 -0.38271E-04 1568 0.310E-02 554 F= -.13583459E+04 E0= -.13583459E+04 d E =-.246906E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133956100407E+04 -0.11332E-02 -0.34075E-01 1472 0.786E-01 0.210E-01 DAV: 2 -0.133956171209E+04 -0.70801E-03 -0.85890E-03 1664 0.120E-01 0.875E-02 DAV: 3 -0.133956165067E+04 0.61416E-04 -0.24718E-04 1472 0.249E-02 555 F= -.13583463E+04 E0= -.13583463E+04 d E =-.250773E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133957298602E+04 -0.11274E-01 -0.12737E+00 1408 0.152E+00 0.433E-01 DAV: 2 -0.133957571704E+04 -0.27310E-02 -0.33823E-02 1600 0.242E-01 0.201E-01 DAV: 3 -0.133957552956E+04 0.18748E-03 -0.11527E-03 1760 0.500E-02 0.107E-01 DAV: 4 -0.133957548546E+04 0.44096E-04 -0.59285E-04 1536 0.339E-02 556 F= -.13583582E+04 E0= -.13583582E+04 d E =-.118853E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133958031929E+04 -0.47897E-02 -0.42144E+00 1408 0.276E+00 0.792E-01 DAV: 2 -0.133958964923E+04 -0.93299E-02 -0.11590E-01 1600 0.446E-01 0.373E-01 DAV: 3 -0.133958890457E+04 0.74465E-03 -0.38960E-03 1760 0.937E-02 0.196E-01 DAV: 4 -0.133958871170E+04 0.19287E-03 -0.21737E-03 1600 0.631E-02 0.833E-02 DAV: 5 -0.133958866613E+04 0.45569E-04 -0.33507E-04 1504 0.315E-02 557 F= -.13583678E+04 E0= -.13583678E+04 d E =-.215215E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133960138883E+04 -0.12677E-01 -0.14312E+00 1408 0.161E+00 0.469E-01 DAV: 2 -0.133960457065E+04 -0.31818E-02 -0.38231E-02 1728 0.250E-01 0.171E-01 DAV: 3 -0.133960431173E+04 0.25892E-03 -0.11493E-03 1696 0.492E-02 0.992E-02 DAV: 4 -0.133960428373E+04 0.28000E-04 -0.94301E-04 1536 0.414E-02 558 F= -.13583813E+04 E0= -.13583813E+04 d E =-.134393E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133960875355E+04 -0.44418E-02 -0.10538E+01 1408 0.437E+00 0.128E+00 DAV: 2 -0.133963182657E+04 -0.23073E-01 -0.28303E-01 1760 0.680E-01 0.478E-01 DAV: 3 -0.133962972358E+04 0.21030E-02 -0.85842E-03 1728 0.133E-01 0.280E-01 DAV: 4 -0.133962931110E+04 0.41248E-03 -0.72663E-03 1600 0.115E-01 0.124E-01 DAV: 5 -0.133962920334E+04 0.10776E-03 -0.12478E-03 1856 0.533E-02 0.622E-02 DAV: 6 -0.133962921027E+04 -0.69363E-05 -0.30141E-04 1408 0.216E-02 559 F= -.13584003E+04 E0= -.13584003E+04 d E =-.324551E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133964426120E+04 -0.15058E-01 -0.25382E+00 1408 0.214E+00 0.632E-01 DAV: 2 -0.133964984845E+04 -0.55873E-02 -0.67578E-02 1696 0.336E-01 0.262E-01 DAV: 3 -0.133964939192E+04 0.45653E-03 -0.21183E-03 1760 0.690E-02 0.150E-01 DAV: 4 -0.133964930623E+04 0.85683E-04 -0.16313E-03 1600 0.564E-02 0.597E-02 DAV: 5 -0.133964928479E+04 0.21442E-04 -0.29187E-04 1504 0.275E-02 560 F= -.13584165E+04 E0= -.13584165E+04 d E =-.162086E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133965055081E+04 -0.12446E-02 -0.69384E+00 1408 0.354E+00 0.104E+00 DAV: 2 -0.133966583178E+04 -0.15281E-01 -0.18624E-01 1728 0.557E-01 0.442E-01 DAV: 3 -0.133966441081E+04 0.14210E-02 -0.58888E-03 1792 0.116E-01 0.249E-01 DAV: 4 -0.133966409317E+04 0.31765E-03 -0.42204E-03 1632 0.905E-02 0.971E-02 DAV: 5 -0.133966401509E+04 0.78080E-04 -0.82100E-04 1696 0.460E-02 561 F= -.13584248E+04 E0= -.13584248E+04 d E =-.245304E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133967162131E+04 -0.75281E-02 -0.18596E+00 1408 0.184E+00 0.424E-01 DAV: 2 -0.133967562867E+04 -0.40074E-02 -0.46360E-02 1600 0.282E-01 0.205E-01 DAV: 3 -0.133967539392E+04 0.23475E-03 -0.13228E-03 1760 0.548E-02 0.122E-01 DAV: 4 -0.133967533749E+04 0.56432E-04 -0.11353E-03 1536 0.496E-02 0.511E-02 DAV: 5 -0.133967532330E+04 0.14192E-04 -0.19505E-04 1280 0.228E-02 562 F= -.13584327E+04 E0= -.13584327E+04 d E =-.789806E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133967435220E+04 0.98529E-03 -0.75647E+00 1408 0.370E+00 0.848E-01 DAV: 2 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DAV: 4 -0.133971773837E+04 0.13857E-03 -0.13259E-03 1536 0.566E-02 0.596E-02 DAV: 5 -0.133971772708E+04 0.11293E-04 -0.27423E-04 1472 0.269E-02 565 F= -.13584602E+04 E0= -.13584602E+04 d E =-.203872E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133972952690E+04 -0.11789E-01 -0.11669E+00 1408 0.144E+00 0.572E-01 DAV: 2 -0.133973213370E+04 -0.26068E-02 -0.32366E-02 1664 0.230E-01 0.261E-01 DAV: 3 -0.133973190554E+04 0.22816E-03 -0.12815E-03 1760 0.504E-02 0.131E-01 DAV: 4 -0.133973187667E+04 0.28870E-04 -0.76500E-04 1600 0.376E-02 566 F= -.13584697E+04 E0= -.13584697E+04 d E =-.950569E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133973635954E+04 -0.44540E-02 -0.53794E-01 1472 0.974E-01 0.403E-01 DAV: 2 -0.133973754447E+04 -0.11849E-02 -0.15410E-02 1664 0.159E-01 0.190E-01 DAV: 3 -0.133973742464E+04 0.11983E-03 -0.62485E-04 1632 0.356E-02 0.936E-02 DAV: 4 -0.133973740719E+04 0.17451E-04 -0.39314E-04 1536 0.269E-02 567 F= -.13584721E+04 E0= -.13584721E+04 d E =-.118993E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133974749174E+04 -0.10067E-01 -0.84551E-01 1408 0.124E+00 0.418E-01 DAV: 2 -0.133974936579E+04 -0.18740E-02 -0.22693E-02 1696 0.196E-01 0.141E-01 DAV: 3 -0.133974921882E+04 0.14697E-03 -0.77041E-04 1664 0.405E-02 0.765E-02 DAV: 4 -0.133974919609E+04 0.22729E-04 -0.38436E-04 1536 0.277E-02 568 F= -.13584799E+04 E0= -.13584799E+04 d E =-.781271E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133975563928E+04 -0.64205E-02 -0.15129E+00 1408 0.166E+00 0.566E-01 DAV: 2 -0.133975896503E+04 -0.33258E-02 -0.40258E-02 1696 0.260E-01 0.195E-01 DAV: 3 -0.133975868367E+04 0.28137E-03 -0.13725E-03 1696 0.540E-02 0.105E-01 DAV: 4 -0.133975862862E+04 0.55048E-04 -0.67257E-04 1600 0.371E-02 569 F= -.13584840E+04 E0= -.13584840E+04 d E =-.119252E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133976707622E+04 -0.83926E-02 -0.74377E-01 1408 0.115E+00 0.348E-01 DAV: 2 -0.133976872595E+04 -0.16497E-02 -0.19781E-02 1664 0.181E-01 0.156E-01 DAV: 3 -0.133976860861E+04 0.11734E-03 -0.61810E-04 1632 0.362E-02 0.891E-02 DAV: 4 -0.133976859657E+04 0.12034E-04 -0.45624E-04 1504 0.305E-02 570 F= -.13584902E+04 E0= -.13584902E+04 d E =-.613510E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133977563645E+04 -0.70278E-02 -0.22948E+00 1408 0.202E+00 0.624E-01 DAV: 2 -0.133978072617E+04 -0.50897E-02 -0.60851E-02 1632 0.318E-01 0.276E-01 DAV: 3 -0.133978035170E+04 0.37447E-03 -0.18959E-03 1760 0.630E-02 0.153E-01 DAV: 4 -0.133978028958E+04 0.62127E-04 -0.13132E-03 1568 0.519E-02 0.490E-02 DAV: 5 -0.133978027267E+04 0.16908E-04 -0.22888E-04 1472 0.245E-02 571 F= -.13584951E+04 E0= -.13584951E+04 d E =-.110792E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133978965352E+04 -0.93639E-02 -0.94934E-01 1408 0.131E+00 0.309E-01 DAV: 2 -0.133979176571E+04 -0.21122E-02 -0.25001E-02 1632 0.205E-01 0.139E-01 DAV: 3 -0.133979165600E+04 0.10971E-03 -0.76873E-04 1632 0.404E-02 0.858E-02 DAV: 4 -0.133979163503E+04 0.20974E-04 -0.54202E-04 1440 0.342E-02 572 F= -.13585026E+04 E0= -.13585026E+04 d E =-.747222E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133979947545E+04 -0.78194E-02 -0.35151E+00 1408 0.252E+00 0.599E-01 DAV: 2 -0.133980710451E+04 -0.76291E-02 -0.92153E-02 1632 0.394E-01 0.272E-01 DAV: 3 -0.133980669163E+04 0.41288E-03 -0.29447E-03 1696 0.783E-02 0.166E-01 DAV: 4 -0.133980657132E+04 0.12031E-03 -0.19753E-03 1600 0.659E-02 0.697E-02 DAV: 5 -0.133980655758E+04 0.13744E-04 -0.30174E-04 1600 0.281E-02 573 F= -.13585100E+04 E0= -.13585100E+04 d E =-.149118E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133980865936E+04 -0.20880E-02 -0.41845E-01 1408 0.869E-01 0.211E-01 DAV: 2 -0.133980960232E+04 -0.94295E-03 -0.11212E-02 1632 0.136E-01 0.933E-02 DAV: 3 -0.133980955270E+04 0.49619E-04 -0.33046E-04 1504 0.276E-02 574 F= -.13585104E+04 E0= -.13585104E+04 d E =-.153181E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133981673686E+04 -0.71345E-02 -0.73382E-01 1408 0.114E+00 0.270E-01 DAV: 2 -0.133981828695E+04 -0.15501E-02 -0.18995E-02 1600 0.179E-01 0.128E-01 DAV: 3 -0.133981825158E+04 0.35372E-04 -0.70438E-04 1760 0.360E-02 575 F= -.13585157E+04 E0= -.13585157E+04 d E =-.531791E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133982486928E+04 -0.65823E-02 -0.66468E+00 1408 0.343E+00 0.812E-01 DAV: 2 -0.133983949446E+04 -0.14625E-01 -0.17453E-01 1600 0.539E-01 0.396E-01 DAV: 3 -0.133983897446E+04 0.52000E-03 -0.59249E-03 1792 0.107E-01 0.243E-01 DAV: 4 -0.133983876238E+04 0.21208E-03 -0.32720E-03 1600 0.815E-02 0.108E-01 DAV: 5 -0.133983873956E+04 0.22819E-04 -0.47736E-04 1728 0.375E-02 576 F= -.13585261E+04 E0= -.13585261E+04 d E =-.156658E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133979591115E+04 0.42851E-01 -0.26658E+01 1408 0.687E+00 0.162E+00 DAV: 2 -0.133985677297E+04 -0.60862E-01 -0.71549E-01 1632 0.109E+00 0.770E-01 DAV: 3 -0.133985441926E+04 0.23537E-02 -0.22633E-02 1760 0.212E-01 0.470E-01 DAV: 4 -0.133985350759E+04 0.91167E-03 -0.13303E-02 1600 0.163E-01 0.212E-01 DAV: 5 -0.133985337831E+04 0.12928E-03 -0.19210E-03 1856 0.750E-02 0.101E-01 DAV: 6 -0.133985343843E+04 -0.60124E-04 -0.62751E-04 1568 0.355E-02 577 F= -.13585205E+04 E0= -.13585205E+04 d E =-.101011E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133982132678E+04 0.32052E-01 -0.12196E+01 1408 0.465E+00 0.108E+00 DAV: 2 -0.133984894790E+04 -0.27621E-01 -0.32500E-01 1600 0.734E-01 0.526E-01 DAV: 3 -0.133984785205E+04 0.10958E-02 -0.10382E-02 1760 0.143E-01 0.321E-01 DAV: 4 -0.133984741924E+04 0.43281E-03 -0.61310E-03 1600 0.111E-01 0.144E-01 DAV: 5 -0.133984737457E+04 0.44670E-04 -0.85261E-04 1792 0.496E-02 578 F= -.13585282E+04 E0= -.13585282E+04 d E =-.177517E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133985829177E+04 -0.10873E-01 -0.33587E+00 1408 0.245E+00 0.587E-01 DAV: 2 -0.133986590384E+04 -0.76121E-02 -0.85989E-02 1600 0.377E-01 0.257E-01 DAV: 3 -0.133986553277E+04 0.37107E-03 -0.24426E-03 1728 0.687E-02 0.166E-01 DAV: 4 -0.133986536648E+04 0.16629E-03 -0.16932E-03 1632 0.640E-02 0.631E-02 DAV: 5 -0.133986535623E+04 0.10246E-04 -0.28996E-04 1504 0.267E-02 579 F= -.13585402E+04 E0= -.13585402E+04 d E =-.120231E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133986538126E+04 -0.14778E-04 -0.71547E+00 1408 0.358E+00 0.874E-01 DAV: 2 -0.133988179934E+04 -0.16418E-01 -0.18585E-01 1632 0.552E-01 0.376E-01 DAV: 3 -0.133988103539E+04 0.76396E-03 -0.51179E-03 1728 0.103E-01 0.241E-01 DAV: 4 -0.133988074730E+04 0.28809E-03 -0.38493E-03 1632 0.959E-02 0.948E-02 DAV: 5 -0.133988071079E+04 0.36502E-04 -0.67439E-04 1696 0.409E-02 580 F= -.13585469E+04 E0= -.13585469E+04 d E =-.186712E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133988772037E+04 -0.69731E-02 -0.36124E+00 1408 0.253E+00 0.607E-01 DAV: 2 -0.133989609627E+04 -0.83759E-02 -0.94544E-02 1632 0.393E-01 0.247E-01 DAV: 3 -0.133989567316E+04 0.42311E-03 -0.24221E-03 1696 0.737E-02 0.148E-01 DAV: 4 -0.133989554808E+04 0.12507E-03 -0.17467E-03 1600 0.638E-02 0.637E-02 DAV: 5 -0.133989553486E+04 0.13223E-04 -0.29673E-04 1504 0.277E-02 581 F= -.13585570E+04 E0= -.13585570E+04 d E =-.100992E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133989616102E+04 -0.61294E-03 -0.31991E+00 1408 0.238E+00 0.573E-01 DAV: 2 -0.133990351389E+04 -0.73529E-02 -0.82872E-02 1632 0.368E-01 0.235E-01 DAV: 3 -0.133990313130E+04 0.38259E-03 -0.21153E-03 1696 0.684E-02 0.139E-01 DAV: 4 -0.133990301285E+04 0.11845E-03 -0.15101E-03 1600 0.593E-02 0.587E-02 DAV: 5 -0.133990300257E+04 0.10278E-04 -0.24690E-04 1376 0.258E-02 582 F= -.13585600E+04 E0= -.13585600E+04 d E =-.131305E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133991070399E+04 -0.76911E-02 -0.33829E+00 1472 0.242E+00 0.525E-01 DAV: 2 -0.133991842768E+04 -0.77237E-02 -0.86592E-02 1632 0.371E-01 0.246E-01 DAV: 3 -0.133991808687E+04 0.34082E-03 -0.22077E-03 1728 0.698E-02 0.152E-01 DAV: 4 -0.133991798429E+04 0.10258E-03 -0.16015E-03 1600 0.590E-02 0.660E-02 DAV: 5 -0.133991797596E+04 0.83231E-05 -0.23026E-04 1344 0.257E-02 583 F= -.13585697E+04 E0= -.13585697E+04 d E =-.968788E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.133990954635E+04 0.84379E-02 -0.11984E+01 1472 0.456E+00 0.987E-01 DAV: 2 -0.133993677414E+04 -0.27228E-01 -0.30528E-01 1600 0.698E-01 0.463E-01 DAV: 3 -0.133993556835E+04 0.12058E-02 -0.78288E-03 1760 0.130E-01 0.284E-01 DAV: 4 -0.133993512722E+04 0.44114E-03 -0.54834E-03 1600 0.109E-01 0.122E-01 DAV: 5 -0.133993508832E+04 0.38897E-04 -0.84846E-04 1728 0.474E-02 584 F= -.13585769E+04 E0= -.13585769E+04 d E =-.169072E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133994272217E+04 -0.75950E-02 -0.59333E+00 1472 0.320E+00 0.752E-01 DAV: 2 -0.133995625565E+04 -0.13533E-01 -0.15104E-01 1600 0.483E-01 0.307E-01 DAV: 3 -0.133995553847E+04 0.71718E-03 -0.36598E-03 1696 0.912E-02 0.187E-01 DAV: 4 -0.133995530971E+04 0.22876E-03 -0.30888E-03 1632 0.847E-02 0.821E-02 DAV: 5 -0.133995528530E+04 0.24405E-04 -0.51463E-04 1728 0.345E-02 585 F= -.13585890E+04 E0= -.13585890E+04 d E =-.121491E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133995643472E+04 -0.11250E-02 -0.41527E+00 1472 0.268E+00 0.633E-01 DAV: 2 -0.133996595043E+04 -0.95157E-02 -0.10642E-01 1600 0.405E-01 0.261E-01 DAV: 3 -0.133996542124E+04 0.52919E-03 -0.25775E-03 1696 0.772E-02 0.159E-01 DAV: 4 -0.133996524991E+04 0.17133E-03 -0.22700E-03 1632 0.731E-02 0.702E-02 DAV: 5 -0.133996523017E+04 0.19743E-04 -0.38253E-04 1664 0.300E-02 586 F= -.13585923E+04 E0= -.13585923E+04 d E =-.153815E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133997385207E+04 -0.86022E-02 -0.39709E+00 1472 0.260E+00 0.551E-01 DAV: 2 -0.133998304866E+04 -0.91966E-02 -0.10479E-01 1600 0.400E-01 0.272E-01 DAV: 3 -0.133998260378E+04 0.44488E-03 -0.26131E-03 1696 0.763E-02 0.169E-01 DAV: 4 -0.133998246514E+04 0.13863E-03 -0.22317E-03 1632 0.673E-02 0.783E-02 DAV: 5 -0.133998244904E+04 0.16107E-04 -0.33375E-04 1600 0.293E-02 587 F= -.13586038E+04 E0= -.13586038E+04 d E =-.114896E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133993639313E+04 0.46072E-01 -0.35735E+01 1408 0.780E+00 0.164E+00 DAV: 2 -0.134001863167E+04 -0.82239E-01 -0.93634E-01 1600 0.120E+00 0.816E-01 DAV: 3 -0.134001469253E+04 0.39391E-02 -0.23518E-02 1728 0.225E-01 0.506E-01 DAV: 4 -0.134001313957E+04 0.15530E-02 -0.18988E-02 1632 0.196E-01 0.232E-01 DAV: 5 -0.134001294188E+04 0.19769E-03 -0.28966E-03 1824 0.855E-02 0.117E-01 DAV: 6 -0.134001297635E+04 -0.34473E-04 -0.93051E-04 1600 0.416E-02 588 F= -.13586172E+04 E0= -.13586172E+04 d E =-.248911E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134001982823E+04 -0.68864E-02 -0.43057E+00 1472 0.271E+00 0.525E-01 DAV: 2 -0.134002967143E+04 -0.98432E-02 -0.11151E-01 1600 0.412E-01 0.258E-01 DAV: 3 -0.134002928682E+04 0.38461E-03 -0.27679E-03 1696 0.755E-02 0.170E-01 DAV: 4 -0.134002911696E+04 0.16986E-03 -0.22492E-03 1600 0.687E-02 0.802E-02 DAV: 5 -0.134002911750E+04 -0.53617E-06 -0.32590E-04 1600 0.287E-02 589 F= -.13586273E+04 E0= -.13586273E+04 d E =-.101082E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.133997898701E+04 0.50130E-01 -0.38532E+01 1408 0.810E+00 0.154E+00 DAV: 2 -0.134006673454E+04 -0.87748E-01 -0.99722E-01 1600 0.124E+00 0.787E-01 DAV: 3 -0.134006301554E+04 0.37190E-02 -0.25070E-02 1664 0.228E-01 0.519E-01 DAV: 4 -0.134006109408E+04 0.19215E-02 -0.20427E-02 1600 0.206E-01 0.246E-01 DAV: 5 -0.134006096095E+04 0.13312E-03 -0.29959E-03 1760 0.854E-02 0.122E-01 DAV: 6 -0.134006097976E+04 -0.18805E-04 -0.10395E-03 1568 0.438E-02 0.430E-02 DAV: 7 -0.134006098900E+04 -0.92387E-05 -0.12038E-04 1152 0.158E-02 590 F= -.13586411E+04 E0= -.13586411E+04 d E =-.239559E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134007265767E+04 -0.11678E-01 -0.21025E+00 1408 0.191E+00 0.580E-01 DAV: 2 -0.134007743954E+04 -0.47819E-02 -0.54721E-02 1600 0.291E-01 0.210E-01 DAV: 3 -0.134007708550E+04 0.35404E-03 -0.15260E-03 1696 0.597E-02 0.124E-01 DAV: 4 -0.134007701122E+04 0.74278E-04 -0.13051E-03 1632 0.532E-02 0.517E-02 DAV: 5 -0.134007700346E+04 0.77587E-05 -0.21227E-04 1408 0.228E-02 591 F= -.13586525E+04 E0= -.13586525E+04 d E =-.113402E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134008101995E+04 -0.40087E-02 -0.38578E+00 1408 0.258E+00 0.789E-01 DAV: 2 -0.134008972973E+04 -0.87098E-02 -0.10090E-01 1600 0.394E-01 0.286E-01 DAV: 3 -0.134008905892E+04 0.67081E-03 -0.28338E-03 1696 0.820E-02 0.168E-01 DAV: 4 -0.134008888714E+04 0.17178E-03 -0.24688E-03 1632 0.734E-02 0.711E-02 DAV: 5 -0.134008885597E+04 0.31172E-04 -0.42179E-04 1600 0.315E-02 592 F= -.13586580E+04 E0= -.13586580E+04 d E =-.168642E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134010034160E+04 -0.11454E-01 -0.29269E+00 1408 0.224E+00 0.588E-01 DAV: 2 -0.134010691778E+04 -0.65762E-02 -0.78084E-02 1600 0.347E-01 0.288E-01 DAV: 3 -0.134010647378E+04 0.44399E-03 -0.24207E-03 1792 0.743E-02 0.162E-01 DAV: 4 -0.134010638750E+04 0.86283E-04 -0.19206E-03 1568 0.598E-02 0.702E-02 DAV: 5 -0.134010635797E+04 0.29528E-04 -0.28057E-04 1408 0.288E-02 593 F= -.13586698E+04 E0= -.13586698E+04 d E =-.117725E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134010853884E+04 -0.21513E-02 -0.60404E+00 1408 0.321E+00 0.839E-01 DAV: 2 -0.134012197382E+04 -0.13435E-01 -0.15946E-01 1632 0.496E-01 0.411E-01 DAV: 3 -0.134012107687E+04 0.89695E-03 -0.49314E-03 1760 0.105E-01 0.230E-01 DAV: 4 -0.134012088296E+04 0.19391E-03 -0.37868E-03 1600 0.836E-02 0.987E-02 DAV: 5 -0.134012082385E+04 0.59118E-04 -0.57179E-04 1664 0.401E-02 594 F= -.13586760E+04 E0= -.13586760E+04 d E =-.180233E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134013170793E+04 -0.10825E-01 -0.42395E+00 1408 0.273E+00 0.766E-01 DAV: 2 -0.134014127899E+04 -0.95711E-02 -0.10907E-01 1632 0.413E-01 0.337E-01 DAV: 3 -0.134014063299E+04 0.64600E-03 -0.30057E-03 1664 0.832E-02 0.198E-01 DAV: 4 -0.134014048827E+04 0.14472E-03 -0.27440E-03 1600 0.798E-02 0.737E-02 DAV: 5 -0.134014045932E+04 0.28949E-04 -0.50363E-04 1632 0.337E-02 595 F= -.13586869E+04 E0= -.13586869E+04 d E =-.108881E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134014369226E+04 -0.32040E-02 -0.73250E-01 1472 0.113E+00 0.326E-01 DAV: 2 -0.134014539188E+04 -0.16996E-02 -0.19460E-02 1664 0.173E-01 0.144E-01 DAV: 3 -0.134014526944E+04 0.12244E-03 -0.52385E-04 1664 0.363E-02 0.853E-02 DAV: 4 -0.134014525182E+04 0.17623E-04 -0.51884E-04 1472 0.355E-02 596 F= -.13586881E+04 E0= -.13586881E+04 d E =-.120481E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134015758941E+04 -0.12320E-01 -0.24802E+00 1408 0.207E+00 0.613E-01 DAV: 2 -0.134016313999E+04 -0.55506E-02 -0.66882E-02 1600 0.324E-01 0.340E-01 DAV: 3 -0.134016274038E+04 0.39961E-03 -0.21732E-03 1760 0.684E-02 0.189E-01 DAV: 4 -0.134016268066E+04 0.59720E-04 -0.19016E-03 1632 0.596E-02 0.674E-02 DAV: 5 -0.134016265055E+04 0.30104E-04 -0.30322E-04 1568 0.275E-02 597 F= -.13586977E+04 E0= -.13586977E+04 d E =-.963329E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134016819547E+04 -0.55148E-02 -0.10004E+00 1472 0.131E+00 0.390E-01 DAV: 2 -0.134017047963E+04 -0.22842E-02 -0.27136E-02 1632 0.206E-01 0.213E-01 DAV: 3 -0.134017031709E+04 0.16254E-03 -0.85002E-04 1792 0.434E-02 0.118E-01 DAV: 4 -0.134017029684E+04 0.20245E-04 -0.76441E-04 1504 0.374E-02 598 F= -.13587004E+04 E0= -.13587004E+04 d E =-.123362E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134018235082E+04 -0.12034E-01 -0.23144E+00 1408 0.203E+00 0.656E-01 DAV: 2 -0.134018742933E+04 -0.50785E-02 -0.61583E-02 1664 0.315E-01 0.232E-01 DAV: 3 -0.134018704451E+04 0.38482E-03 -0.18863E-03 1792 0.658E-02 0.132E-01 DAV: 4 -0.134018698789E+04 0.56625E-04 -0.14460E-03 1568 0.538E-02 0.555E-02 DAV: 5 -0.134018696924E+04 0.18652E-04 -0.21103E-04 1376 0.242E-02 599 F= -.13587102E+04 E0= -.13587102E+04 d E =-.984675E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134019146200E+04 -0.44741E-02 -0.14475E+00 1472 0.161E+00 0.527E-01 DAV: 2 -0.134019468412E+04 -0.32221E-02 -0.38298E-02 1696 0.247E-01 0.185E-01 DAV: 3 -0.134019444484E+04 0.23928E-03 -0.11234E-03 1760 0.511E-02 0.105E-01 DAV: 4 -0.134019441589E+04 0.28947E-04 -0.86924E-04 1536 0.416E-02 600 F= -.13587123E+04 E0= -.13587123E+04 d E =-.118842E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134020273247E+04 -0.82876E-02 -0.11331E+00 1408 0.140E+00 0.411E-01 DAV: 2 -0.134020522929E+04 -0.24968E-02 -0.29855E-02 1632 0.216E-01 0.191E-01 DAV: 3 -0.134020505851E+04 0.17078E-03 -0.84714E-04 1760 0.449E-02 0.110E-01 DAV: 4 -0.134020504016E+04 0.18350E-04 -0.76273E-04 1600 0.386E-02 601 F= -.13587172E+04 E0= -.13587172E+04 d E =-.496914E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134020873732E+04 -0.36788E-02 -0.23664E-01 1472 0.640E-01 0.197E-01 DAV: 2 -0.134020926181E+04 -0.52449E-03 -0.64778E-03 1696 0.101E-01 0.944E-02 DAV: 3 -0.134020921925E+04 0.42557E-04 -0.18051E-04 1344 0.223E-02 602 F= -.13587189E+04 E0= -.13587189E+04 d E =-.657450E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134021458637E+04 -0.53246E-02 -0.92595E-01 1408 0.127E+00 0.375E-01 DAV: 2 -0.134021649490E+04 -0.19085E-02 -0.23056E-02 1632 0.191E-01 0.172E-01 DAV: 3 -0.134021638767E+04 0.10724E-03 -0.76567E-04 1792 0.396E-02 0.983E-02 DAV: 4 -0.134021635948E+04 0.28184E-04 -0.48738E-04 1536 0.325E-02 603 F= -.13587208E+04 E0= -.13587208E+04 d E =-.856834E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134022278293E+04 -0.63953E-02 -0.39571E-01 1472 0.840E-01 0.234E-01 DAV: 2 -0.134022363666E+04 -0.85373E-03 -0.10876E-02 1664 0.135E-01 0.103E-01 DAV: 3 -0.134022355805E+04 0.78614E-04 -0.38121E-04 1600 0.302E-02 604 F= -.13587259E+04 E0= -.13587259E+04 d E =-.506294E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134022755218E+04 -0.39155E-02 -0.69794E-01 1408 0.112E+00 0.324E-01 DAV: 2 -0.134022891059E+04 -0.13584E-02 -0.18296E-02 1664 0.177E-01 0.145E-01 DAV: 3 -0.134022876636E+04 0.14423E-03 -0.75626E-04 1760 0.407E-02 0.782E-02 DAV: 4 -0.134022872374E+04 0.42618E-04 -0.29181E-04 1536 0.267E-02 605 F= -.13587282E+04 E0= -.13587282E+04 d E =-.737411E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134023321871E+04 -0.44524E-02 -0.41551E-01 1472 0.851E-01 0.286E-01 DAV: 2 -0.134023407208E+04 -0.85336E-03 -0.10940E-02 1664 0.132E-01 0.109E-01 DAV: 3 -0.134023400456E+04 0.67521E-04 -0.37244E-04 1472 0.287E-02 606 F= -.13587322E+04 E0= -.13587322E+04 d E =-.394466E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134023587505E+04 -0.18030E-02 -0.34472E+00 1408 0.245E+00 0.820E-01 DAV: 2 -0.134024266891E+04 -0.67939E-02 -0.87521E-02 1696 0.375E-01 0.310E-01 DAV: 3 -0.134024215978E+04 0.50914E-03 -0.31775E-03 1728 0.794E-02 0.175E-01 DAV: 4 -0.134024203048E+04 0.12930E-03 -0.21980E-03 1632 0.657E-02 0.698E-02 DAV: 5 -0.134024200518E+04 0.25297E-04 -0.32051E-04 1536 0.289E-02 607 F= -.13587363E+04 E0= -.13587363E+04 d E =-.807557E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134024669351E+04 -0.46630E-02 -0.57129E-01 1472 0.999E-01 0.274E-01 DAV: 2 -0.134024798676E+04 -0.12932E-02 -0.15111E-02 1632 0.155E-01 0.104E-01 DAV: 3 -0.134024790649E+04 0.80267E-04 -0.45218E-04 1632 0.331E-02 608 F= -.13587407E+04 E0= -.13587407E+04 d E =-.438599E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134025044981E+04 -0.24631E-02 -0.14497E+00 1408 0.159E+00 0.433E-01 DAV: 2 -0.134025345120E+04 -0.30014E-02 -0.36201E-02 1632 0.242E-01 0.170E-01 DAV: 3 -0.134025327272E+04 0.17848E-03 -0.12782E-03 1792 0.512E-02 0.968E-02 DAV: 4 -0.134025321463E+04 0.58090E-04 -0.63329E-04 1664 0.380E-02 609 F= -.13587436E+04 E0= -.13587436E+04 d E =-.726444E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134025786285E+04 -0.45901E-02 -0.43008E-01 1408 0.856E-01 0.324E-01 DAV: 2 -0.134025885784E+04 -0.99500E-03 -0.12016E-02 1696 0.135E-01 0.121E-01 DAV: 3 -0.134025878400E+04 0.73844E-04 -0.39793E-04 1536 0.294E-02 610 F= -.13587480E+04 E0= -.13587480E+04 d E =-.439538E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134026019283E+04 -0.13350E-02 -0.32879E+00 1408 0.237E+00 0.914E-01 DAV: 2 -0.134026753748E+04 -0.73446E-02 -0.89217E-02 1664 0.370E-01 0.338E-01 DAV: 3 -0.134026700301E+04 0.53447E-03 -0.31468E-03 1728 0.788E-02 0.188E-01 DAV: 4 -0.134026688219E+04 0.12083E-03 -0.18914E-03 1632 0.630E-02 0.711E-02 DAV: 5 -0.134026686686E+04 0.15327E-04 -0.28616E-04 1504 0.268E-02 611 F= -.13587528E+04 E0= -.13587528E+04 d E =-.922073E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134027008862E+04 -0.32064E-02 -0.19360E-01 1472 0.572E-01 0.165E-01 DAV: 2 -0.134027054191E+04 -0.45329E-03 -0.53464E-03 1664 0.894E-02 0.668E-02 DAV: 3 -0.134027051415E+04 0.27757E-04 -0.15222E-04 1216 0.197E-02 612 F= -.13587556E+04 E0= -.13587556E+04 d E =-.283215E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134027547289E+04 -0.49310E-02 -0.17375E+00 1408 0.171E+00 0.479E-01 DAV: 2 -0.134027904213E+04 -0.35692E-02 -0.44797E-02 1632 0.263E-01 0.201E-01 DAV: 3 -0.134027885257E+04 0.18955E-03 -0.16285E-03 1728 0.555E-02 0.117E-01 DAV: 4 -0.134027877280E+04 0.79770E-04 -0.97267E-04 1600 0.443E-02 613 F= -.13587614E+04 E0= -.13587614E+04 d E =-.864420E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134026987603E+04 0.89765E-02 -0.69931E+00 1408 0.344E+00 0.962E-01 DAV: 2 -0.134028477427E+04 -0.14898E-01 -0.18526E-01 1664 0.534E-01 0.407E-01 DAV: 3 -0.134028384933E+04 0.92494E-03 -0.63532E-03 1728 0.113E-01 0.234E-01 DAV: 4 -0.134028349597E+04 0.35336E-03 -0.42822E-03 1632 0.916E-02 0.105E-01 DAV: 5 -0.134028343125E+04 0.64720E-04 -0.59676E-04 1632 0.401E-02 614 F= -.13587612E+04 E0= -.13587612E+04 d E =-.840461E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134027801639E+04 0.54796E-02 -0.23398E+00 1408 0.199E+00 0.536E-01 DAV: 2 -0.134028294642E+04 -0.49300E-02 -0.60203E-02 1632 0.305E-01 0.230E-01 DAV: 3 -0.134028268187E+04 0.26455E-03 -0.20826E-03 1760 0.625E-02 0.133E-01 DAV: 4 -0.134028258585E+04 0.96016E-04 -0.12347E-03 1600 0.499E-02 0.560E-02 DAV: 5 -0.134028258662E+04 -0.76566E-06 -0.15712E-04 1280 0.211E-02 615 F= -.13587632E+04 E0= -.13587632E+04 d E =-.103906E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134028653957E+04 -0.39537E-02 -0.21415E-01 1472 0.601E-01 0.214E-01 DAV: 2 -0.134028703549E+04 -0.49591E-03 -0.55650E-03 1664 0.925E-02 0.997E-02 DAV: 3 -0.134028699639E+04 0.39096E-04 -0.16117E-04 1280 0.196E-02 616 F= -.13587666E+04 E0= -.13587666E+04 d E =-.341138E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134029107381E+04 -0.40383E-02 -0.19039E+00 1408 0.179E+00 0.635E-01 DAV: 2 -0.134029535403E+04 -0.42802E-02 -0.49031E-02 1664 0.274E-01 0.296E-01 DAV: 3 -0.134029501188E+04 0.34215E-03 -0.15667E-03 1760 0.591E-02 0.165E-01 DAV: 4 -0.134029496400E+04 0.47878E-04 -0.76267E-04 1600 0.401E-02 617 F= -.13587716E+04 E0= -.13587716E+04 d E =-.838603E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134029957439E+04 -0.45625E-02 -0.31359E-01 1472 0.720E-01 0.220E-01 DAV: 2 -0.134030024611E+04 -0.67172E-03 -0.78166E-03 1664 0.109E-01 0.105E-01 DAV: 3 -0.134030020270E+04 0.43411E-04 -0.23113E-04 1472 0.221E-02 618 F= -.13587754E+04 E0= -.13587754E+04 d E =-.380026E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134030559677E+04 -0.53507E-02 -0.27775E+00 1408 0.215E+00 0.630E-01 DAV: 2 -0.134031121411E+04 -0.56173E-02 -0.66057E-02 1632 0.318E-01 0.304E-01 DAV: 3 -0.134031082709E+04 0.38702E-03 -0.21140E-03 1760 0.624E-02 0.176E-01 DAV: 4 -0.134031071032E+04 0.11677E-03 -0.12168E-03 1696 0.496E-02 0.506E-02 DAV: 5 -0.134031069836E+04 0.11958E-04 -0.21969E-04 1344 0.230E-02 619 F= -.13587815E+04 E0= -.13587815E+04 d E =-.997717E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134031186519E+04 -0.11549E-02 -0.24975E-01 1472 0.644E-01 0.193E-01 DAV: 2 -0.134031241193E+04 -0.54674E-03 -0.62604E-03 1664 0.970E-02 0.879E-02 DAV: 3 -0.134031237735E+04 0.34580E-04 -0.16100E-04 1280 0.188E-02 620 F= -.13587819E+04 E0= -.13587819E+04 d E =-.103632E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134031739006E+04 -0.49781E-02 -0.50941E-01 1408 0.905E-01 0.214E-01 DAV: 2 -0.134031842140E+04 -0.10313E-02 -0.11685E-02 1664 0.131E-01 0.844E-02 DAV: 3 -0.134031837481E+04 0.46586E-04 -0.34267E-04 1536 0.252E-02 621 F= -.13587859E+04 E0= -.13587859E+04 d E =-.399371E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134032247436E+04 -0.40530E-02 -0.46030E+00 1408 0.272E+00 0.645E-01 DAV: 2 -0.134033194511E+04 -0.94708E-02 -0.10613E-01 1664 0.395E-01 0.264E-01 DAV: 3 -0.134033143628E+04 0.50883E-03 -0.29686E-03 1792 0.746E-02 0.160E-01 DAV: 4 -0.134033122241E+04 0.21388E-03 -0.17418E-03 1664 0.621E-02 0.601E-02 DAV: 5 -0.134033121110E+04 0.11307E-04 -0.33252E-04 1600 0.277E-02 622 F= -.13587927E+04 E0= -.13587927E+04 d E =-.108219E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134033270486E+04 -0.14825E-02 -0.10174E+00 1408 0.128E+00 0.309E-01 DAV: 2 -0.134033487915E+04 -0.21743E-02 -0.24206E-02 1664 0.188E-01 0.123E-01 DAV: 3 -0.134033475791E+04 0.12124E-03 -0.62314E-04 1696 0.360E-02 0.735E-02 DAV: 4 -0.134033471397E+04 0.43932E-04 -0.43302E-04 1504 0.313E-02 623 F= -.13587934E+04 E0= -.13587934E+04 d E =-.115065E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134034003569E+04 -0.52778E-02 -0.68174E-01 1408 0.104E+00 0.231E-01 DAV: 2 -0.134034152115E+04 -0.14855E-02 -0.16638E-02 1632 0.154E-01 0.132E-01 DAV: 3 -0.134034146164E+04 0.59503E-04 -0.43622E-04 1632 0.294E-02 624 F= -.13587979E+04 E0= -.13587979E+04 d E =-.445880E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134034548805E+04 -0.39669E-02 -0.60773E+00 1408 0.311E+00 0.676E-01 DAV: 2 -0.134035836896E+04 -0.12881E-01 -0.14395E-01 1664 0.455E-01 0.388E-01 DAV: 3 -0.134035786674E+04 0.50221E-03 -0.39229E-03 1824 0.840E-02 0.249E-01 DAV: 4 -0.134035767457E+04 0.19217E-03 -0.26930E-03 1632 0.780E-02 0.799E-02 DAV: 5 -0.134035764817E+04 0.26401E-04 -0.55239E-04 1696 0.365E-02 625 F= -.13588072E+04 E0= -.13588072E+04 d E =-.137749E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134032010162E+04 0.37573E-01 -0.24409E+01 1408 0.623E+00 0.134E+00 DAV: 2 -0.134037384235E+04 -0.53741E-01 -0.59225E-01 1664 0.921E-01 0.748E-01 DAV: 3 -0.134037160077E+04 0.22416E-02 -0.15056E-02 1792 0.168E-01 0.485E-01 DAV: 4 -0.134037075604E+04 0.84473E-03 -0.10906E-02 1664 0.155E-01 0.162E-01 DAV: 5 -0.134037062932E+04 0.12672E-03 -0.23078E-03 1792 0.744E-02 0.984E-02 DAV: 6 -0.134037066395E+04 -0.34630E-04 -0.62848E-04 1536 0.314E-02 626 F= -.13588065E+04 E0= -.13588065E+04 d E =-.130501E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134035149547E+04 0.19134E-01 -0.75098E+00 1408 0.346E+00 0.744E-01 DAV: 2 -0.134036781280E+04 -0.16317E-01 -0.18037E-01 1632 0.508E-01 0.420E-01 DAV: 3 -0.134036708121E+04 0.73159E-03 -0.47160E-03 1760 0.946E-02 0.265E-01 DAV: 4 -0.134036686343E+04 0.21778E-03 -0.35116E-03 1632 0.865E-02 0.894E-02 DAV: 5 -0.134036683748E+04 0.25949E-04 -0.67853E-04 1696 0.406E-02 627 F= -.13588103E+04 E0= -.13588103E+04 d E =-.168557E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134037541246E+04 -0.85490E-02 -0.13607E+00 1440 0.147E+00 0.291E-01 DAV: 2 -0.134037831015E+04 -0.28977E-02 -0.32672E-02 1664 0.216E-01 0.145E-01 DAV: 3 -0.134037819182E+04 0.11833E-03 -0.89559E-04 1792 0.391E-02 0.908E-02 DAV: 4 -0.134037813471E+04 0.57110E-04 -0.55356E-04 1536 0.339E-02 628 F= -.13588180E+04 E0= -.13588180E+04 d E =-.775246E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134038185248E+04 -0.36607E-02 -0.12193E+01 1408 0.439E+00 0.895E-01 DAV: 2 -0.134040833046E+04 -0.26478E-01 -0.29883E-01 1664 0.653E-01 0.429E-01 DAV: 3 -0.134040725642E+04 0.10740E-02 -0.77909E-03 1760 0.119E-01 0.265E-01 DAV: 4 -0.134040679221E+04 0.46421E-03 -0.52105E-03 1600 0.102E-01 0.114E-01 DAV: 5 -0.134040674574E+04 0.46476E-04 -0.78985E-04 1728 0.453E-02 629 F= -.13588360E+04 E0= -.13588360E+04 d E =-.257357E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134033987939E+04 0.66913E-01 -0.48685E+01 1408 0.878E+00 0.179E+00 DAV: 2 -0.134044678600E+04 -0.10691E+00 -0.11945E+00 1696 0.130E+00 0.843E-01 DAV: 3 -0.134044247805E+04 0.43079E-02 -0.30406E-02 1760 0.234E-01 0.522E-01 DAV: 4 -0.134044052690E+04 0.19512E-02 -0.20005E-02 1600 0.200E-01 0.222E-01 DAV: 5 -0.134044033517E+04 0.19173E-03 -0.31120E-03 1824 0.899E-02 0.108E-01 DAV: 6 -0.134044037113E+04 -0.35960E-04 -0.10657E-03 1632 0.426E-02 0.460E-02 DAV: 7 -0.134044038554E+04 -0.14414E-04 -0.87536E-05 1120 0.148E-02 630 F= -.13588485E+04 E0= -.13588485E+04 d E =-.381901E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134044705892E+04 -0.66878E-02 -0.34013E+00 1408 0.230E+00 0.511E-01 DAV: 2 -0.134045454878E+04 -0.74899E-02 -0.81961E-02 1600 0.337E-01 0.216E-01 DAV: 3 -0.134045425702E+04 0.29176E-03 -0.21120E-03 1792 0.618E-02 0.135E-01 DAV: 4 -0.134045417090E+04 0.86117E-04 -0.16996E-03 1600 0.608E-02 0.556E-02 DAV: 5 -0.134045417328E+04 -0.23778E-05 -0.28269E-04 1440 0.259E-02 631 F= -.13588574E+04 E0= -.13588574E+04 d E =-.892408E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134042531934E+04 0.28852E-01 -0.26219E+01 1408 0.639E+00 0.142E+00 DAV: 2 -0.134048282103E+04 -0.57502E-01 -0.63241E-01 1568 0.936E-01 0.605E-01 DAV: 3 -0.134048043273E+04 0.23883E-02 -0.16269E-02 1824 0.172E-01 0.376E-01 DAV: 4 -0.134047947175E+04 0.96098E-03 -0.13243E-02 1600 0.169E-01 0.156E-01 DAV: 5 -0.134047935517E+04 0.11658E-03 -0.22494E-03 1664 0.719E-02 0.993E-02 DAV: 6 -0.134047931911E+04 0.36063E-04 -0.11745E-03 1632 0.420E-02 0.379E-02 DAV: 7 -0.134047933005E+04 -0.10942E-04 -0.71730E-05 1152 0.136E-02 632 F= -.13588691E+04 E0= -.13588691E+04 d E =-.206576E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134048029885E+04 -0.97974E-03 -0.82696E-01 1472 0.114E+00 0.254E-01 DAV: 2 -0.134048213701E+04 -0.18382E-02 -0.19932E-02 1632 0.166E-01 0.106E-01 DAV: 3 -0.134048206917E+04 0.67837E-04 -0.49967E-04 1664 0.303E-02 633 F= -.13588695E+04 E0= -.13588695E+04 d E =-.210325E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134048922277E+04 -0.70858E-02 -0.72689E-01 1408 0.106E+00 0.326E-01 DAV: 2 -0.134049074653E+04 -0.15238E-02 -0.17068E-02 1664 0.156E-01 0.122E-01 DAV: 3 -0.134049067016E+04 0.76367E-04 -0.52974E-04 1696 0.320E-02 634 F= -.13588777E+04 E0= -.13588777E+04 d E =-.819884E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134048993411E+04 0.81241E-03 -0.65979E+00 1408 0.318E+00 0.983E-01 DAV: 2 -0.134050408099E+04 -0.14147E-01 -0.15839E-01 1632 0.473E-01 0.373E-01 DAV: 3 -0.134050317185E+04 0.90914E-03 -0.47595E-03 1760 0.972E-02 0.213E-01 DAV: 4 -0.134050286432E+04 0.30753E-03 -0.18075E-03 1696 0.633E-02 0.791E-02 DAV: 5 -0.134050286165E+04 0.26710E-05 -0.35622E-04 1568 0.302E-02 635 F= -.13588887E+04 E0= -.13588887E+04 d E =-.192138E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134051039370E+04 -0.75294E-02 -0.19052E+00 1472 0.168E+00 0.370E-01 DAV: 2 -0.134051415291E+04 -0.37592E-02 -0.42808E-02 1632 0.242E-01 0.150E-01 DAV: 3 -0.134051396719E+04 0.18572E-03 -0.12189E-03 1792 0.441E-02 0.923E-02 DAV: 4 -0.134051386854E+04 0.98643E-04 -0.54138E-04 1504 0.340E-02 636 F= -.13588993E+04 E0= -.13588993E+04 d E =-.105876E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134051456302E+04 -0.59584E-03 -0.50773E+00 1408 0.275E+00 0.603E-01 DAV: 2 -0.134052431865E+04 -0.97556E-02 -0.11308E-01 1664 0.395E-01 0.255E-01 DAV: 3 -0.134052379247E+04 0.52618E-03 -0.34038E-03 1824 0.737E-02 0.155E-01 DAV: 4 -0.134052349464E+04 0.29784E-03 -0.14709E-03 1632 0.560E-02 0.611E-02 DAV: 5 -0.134052347602E+04 0.18616E-04 -0.29102E-04 1440 0.274E-02 637 F= -.13589083E+04 E0= -.13589083E+04 d E =-.195342E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134052256042E+04 0.93421E-03 -0.11099E+00 1408 0.129E+00 0.286E-01 DAV: 2 -0.134052473848E+04 -0.21781E-02 -0.25009E-02 1664 0.185E-01 0.117E-01 DAV: 3 -0.134052462391E+04 0.11456E-03 -0.70426E-04 1728 0.341E-02 0.714E-02 DAV: 4 -0.134052456631E+04 0.57596E-04 -0.33317E-04 1408 0.272E-02 638 F= -.13589090E+04 E0= -.13589090E+04 d E =-.203248E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134052729423E+04 -0.26703E-02 -0.37129E+00 1408 0.238E+00 0.552E-01 DAV: 2 -0.134053516787E+04 -0.78736E-02 -0.86050E-02 1632 0.348E-01 0.234E-01 DAV: 3 -0.134053476913E+04 0.39874E-03 -0.22358E-03 1824 0.637E-02 0.135E-01 DAV: 4 -0.134053461032E+04 0.15881E-03 -0.98089E-04 1664 0.469E-02 0.431E-02 DAV: 5 -0.134053462023E+04 -0.99118E-05 -0.18037E-04 1344 0.204E-02 639 F= -.13589191E+04 E0= -.13589191E+04 d E =-.100944E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134053487492E+04 -0.26461E-03 -0.82482E-01 1472 0.112E+00 0.265E-01 DAV: 2 -0.134053665911E+04 -0.17842E-02 -0.19384E-02 1632 0.165E-01 0.110E-01 DAV: 3 -0.134053657489E+04 0.84219E-04 -0.47331E-04 1632 0.299E-02 640 F= -.13589211E+04 E0= -.13589211E+04 d E =-.120729E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134053654712E+04 0.11199E-03 -0.18180E-01 1600 0.524E-01 0.130E-01 DAV: 2 -0.134053688300E+04 -0.33589E-03 -0.38285E-03 1664 0.742E-02 0.598E-02 DAV: 3 -0.134053686617E+04 0.16829E-04 -0.11592E-04 1184 0.153E-02 641 F= -.13589214E+04 E0= -.13589214E+04 d E =-.123765E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134054249719E+04 -0.56142E-02 -0.30321E+00 1408 0.214E+00 0.510E-01 DAV: 2 -0.134054882746E+04 -0.63303E-02 -0.72526E-02 1632 0.314E-01 0.210E-01 DAV: 3 -0.134054848419E+04 0.34328E-03 -0.20076E-03 1792 0.572E-02 0.125E-01 DAV: 4 -0.134054833411E+04 0.15008E-03 -0.10035E-03 1568 0.441E-02 0.529E-02 DAV: 5 -0.134054832582E+04 0.82890E-05 -0.16172E-04 1344 0.203E-02 642 F= -.13589320E+04 E0= -.13589320E+04 d E =-.105877E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134054104201E+04 0.72921E-02 -0.75128E+00 1408 0.337E+00 0.805E-01 DAV: 2 -0.134055694710E+04 -0.15905E-01 -0.18142E-01 1664 0.497E-01 0.327E-01 DAV: 3 -0.134055606319E+04 0.88390E-03 -0.48837E-03 1760 0.902E-02 0.196E-01 DAV: 4 -0.134055567530E+04 0.38789E-03 -0.25256E-03 1600 0.698E-02 0.838E-02 DAV: 5 -0.134055564536E+04 0.29944E-04 -0.43074E-04 1664 0.324E-02 643 F= -.13589380E+04 E0= -.13589380E+04 d E =-.165356E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134056035317E+04 -0.46779E-02 -0.15085E+00 1408 0.148E+00 0.400E-01 DAV: 2 -0.134056360008E+04 -0.32469E-02 -0.36404E-02 1664 0.217E-01 0.141E-01 DAV: 3 -0.134056343775E+04 0.16233E-03 -0.97459E-04 1728 0.406E-02 0.838E-02 DAV: 4 -0.134056338797E+04 0.49777E-04 -0.71536E-04 1504 0.361E-02 644 F= -.13589449E+04 E0= -.13589449E+04 d E =-.695846E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134056203101E+04 0.14067E-02 -0.53417E+00 1408 0.279E+00 0.753E-01 DAV: 2 -0.134057341290E+04 -0.11382E-01 -0.12967E-01 1696 0.411E-01 0.273E-01 DAV: 3 -0.134057278421E+04 0.62869E-03 -0.35395E-03 1760 0.764E-02 0.162E-01 DAV: 4 -0.134057255057E+04 0.23364E-03 -0.25782E-03 1600 0.682E-02 0.677E-02 DAV: 5 -0.134057252917E+04 0.21406E-04 -0.38679E-04 1536 0.292E-02 645 F= -.13589526E+04 E0= -.13589526E+04 d E =-.146354E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134052633422E+04 0.46216E-01 -0.21303E+01 1408 0.558E+00 0.150E+00 DAV: 2 -0.134057208672E+04 -0.45753E-01 -0.51366E-01 1664 0.817E-01 0.533E-01 DAV: 3 -0.134056976516E+04 0.23216E-02 -0.14349E-02 1760 0.154E-01 0.318E-01 DAV: 4 -0.134056874493E+04 0.10202E-02 -0.95648E-03 1664 0.133E-01 0.133E-01 DAV: 5 -0.134056865768E+04 0.87249E-04 -0.15342E-03 1664 0.563E-02 0.793E-02 DAV: 6 -0.134056864244E+04 0.15241E-04 -0.63851E-04 1472 0.311E-02 646 F= -.13589458E+04 E0= -.13589458E+04 d E =-.783715E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134055240660E+04 0.16251E-01 -0.11050E+01 1408 0.402E+00 0.105E+00 DAV: 2 -0.134057606247E+04 -0.23656E-01 -0.26592E-01 1632 0.589E-01 0.387E-01 DAV: 3 -0.134057487577E+04 0.11867E-02 -0.75428E-03 1760 0.111E-01 0.232E-01 DAV: 4 -0.134057434715E+04 0.52862E-03 -0.50231E-03 1632 0.962E-02 0.946E-02 DAV: 5 -0.134057431532E+04 0.31828E-04 -0.77222E-04 1632 0.403E-02 647 F= -.13589536E+04 E0= -.13589536E+04 d E =-.156061E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134057941645E+04 -0.50693E-02 -0.13749E+00 1472 0.139E+00 0.377E-01 DAV: 2 -0.134058236671E+04 -0.29503E-02 -0.31745E-02 1696 0.202E-01 0.149E-01 DAV: 3 -0.134058218292E+04 0.18380E-03 -0.80266E-04 1760 0.369E-02 0.805E-02 DAV: 4 -0.134058211569E+04 0.67224E-04 -0.30461E-04 1440 0.262E-02 648 F= -.13589603E+04 E0= -.13589603E+04 d E =-.669470E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134058230857E+04 -0.12566E-03 -0.35634E+00 1408 0.224E+00 0.612E-01 DAV: 2 -0.134058994785E+04 -0.76393E-02 -0.82972E-02 1664 0.325E-01 0.235E-01 DAV: 3 -0.134058950447E+04 0.44338E-03 -0.20751E-03 1824 0.611E-02 0.129E-01 DAV: 4 -0.134058933178E+04 0.17268E-03 -0.85587E-04 1632 0.437E-02 0.453E-02 DAV: 5 -0.134058932868E+04 0.31024E-05 -0.17584E-04 1344 0.202E-02 649 F= -.13589657E+04 E0= -.13589657E+04 d E =-.121264E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134059781508E+04 -0.84833E-02 -0.21023E+00 1408 0.171E+00 0.408E-01 DAV: 2 -0.134060212392E+04 -0.43088E-02 -0.47189E-02 1664 0.246E-01 0.160E-01 DAV: 3 -0.134060190468E+04 0.21924E-03 -0.11677E-03 1760 0.434E-02 0.975E-02 DAV: 4 -0.134060181026E+04 0.94422E-04 -0.64652E-04 1632 0.358E-02 650 F= -.13589756E+04 E0= -.13589756E+04 d E =-.995860E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134060311987E+04 -0.12152E-02 -0.74795E+00 1408 0.323E+00 0.771E-01 DAV: 2 -0.134061835435E+04 -0.15234E-01 -0.16797E-01 1664 0.465E-01 0.311E-01 DAV: 3 -0.134061754037E+04 0.81398E-03 -0.42773E-03 1824 0.829E-02 0.190E-01 DAV: 4 -0.134061717143E+04 0.36894E-03 -0.24284E-03 1632 0.689E-02 0.636E-02 DAV: 5 -0.134061717305E+04 -0.16155E-05 -0.46526E-04 1536 0.313E-02 651 F= -.13589863E+04 E0= -.13589863E+04 d E =-.205910E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134055921307E+04 0.57958E-01 -0.29855E+01 1408 0.646E+00 0.154E+00 DAV: 2 -0.134062087847E+04 -0.61665E-01 -0.67561E-01 1696 0.931E-01 0.621E-01 DAV: 3 -0.134061764874E+04 0.32297E-02 -0.17119E-02 1856 0.164E-01 0.388E-01 DAV: 4 -0.134061607985E+04 0.15689E-02 -0.94666E-03 1632 0.136E-01 0.128E-01 DAV: 5 -0.134061608892E+04 -0.90682E-05 -0.18812E-03 1728 0.623E-02 0.797E-02 DAV: 6 -0.134061611020E+04 -0.21285E-04 -0.44270E-04 1472 0.258E-02 652 F= -.13589758E+04 E0= -.13589758E+04 d E =-.101445E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134058974326E+04 0.26346E-01 -0.16543E+01 1408 0.480E+00 0.113E+00 DAV: 2 -0.134062355602E+04 -0.33813E-01 -0.36993E-01 1632 0.689E-01 0.461E-01 DAV: 3 -0.134062173245E+04 0.18236E-02 -0.94770E-03 1824 0.122E-01 0.275E-01 DAV: 4 -0.134062088292E+04 0.84953E-03 -0.54131E-03 1632 0.102E-01 0.890E-02 DAV: 5 -0.134062089038E+04 -0.74607E-05 -0.10152E-03 1696 0.450E-02 0.563E-02 DAV: 6 -0.134062089943E+04 -0.90556E-05 -0.23708E-04 1440 0.190E-02 653 F= -.13589876E+04 E0= -.13589876E+04 d E =-.219128E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134062606620E+04 -0.51758E-02 -0.16776E+00 1472 0.151E+00 0.307E-01 DAV: 2 -0.134062949708E+04 -0.34309E-02 -0.37110E-02 1696 0.215E-01 0.151E-01 DAV: 3 -0.134062931552E+04 0.18156E-03 -0.88681E-04 1792 0.375E-02 0.882E-02 DAV: 4 -0.134062923656E+04 0.78961E-04 -0.48187E-04 1536 0.306E-02 654 F= -.13589937E+04 E0= -.13589937E+04 d E =-.610933E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134062784461E+04 0.14709E-02 -0.68848E+00 1472 0.307E+00 0.644E-01 DAV: 2 -0.134064202169E+04 -0.14177E-01 -0.15365E-01 1664 0.437E-01 0.301E-01 DAV: 3 -0.134064130640E+04 0.71528E-03 -0.36474E-03 1792 0.765E-02 0.174E-01 DAV: 4 -0.134064101583E+04 0.29057E-03 -0.19184E-03 1632 0.609E-02 0.604E-02 DAV: 5 -0.134064102044E+04 -0.46086E-05 -0.34161E-04 1504 0.276E-02 655 F= -.13590010E+04 E0= -.13590010E+04 d E =-.133976E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134058991252E+04 0.51103E-01 -0.27498E+01 1408 0.612E+00 0.129E+00 DAV: 2 -0.134064718174E+04 -0.57269E-01 -0.61654E-01 1696 0.873E-01 0.589E-01 DAV: 3 -0.134064432672E+04 0.28550E-02 -0.14474E-02 1792 0.151E-01 0.341E-01 DAV: 4 -0.134064312839E+04 0.11983E-02 -0.72522E-03 1632 0.118E-01 0.117E-01 DAV: 5 -0.134064315832E+04 -0.29927E-04 -0.13252E-03 1696 0.534E-02 0.646E-02 DAV: 6 -0.134064318918E+04 -0.30861E-04 -0.30268E-04 1408 0.212E-02 656 F= -.13589942E+04 E0= -.13589942E+04 d E =-.659543E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134061619254E+04 0.26966E-01 -0.14742E+01 1472 0.448E+00 0.903E-01 DAV: 2 -0.134064673550E+04 -0.30543E-01 -0.32989E-01 1696 0.639E-01 0.440E-01 DAV: 3 -0.134064520337E+04 0.15321E-02 -0.78742E-03 1824 0.111E-01 0.265E-01 DAV: 4 -0.134064450121E+04 0.70217E-03 -0.42537E-03 1632 0.906E-02 0.911E-02 DAV: 5 -0.134064451227E+04 -0.11063E-04 -0.78491E-04 1664 0.407E-02 657 F= -.13590021E+04 E0= -.13590021E+04 d E =-.144877E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134065119845E+04 -0.66972E-02 -0.20553E+00 1472 0.164E+00 0.340E-01 DAV: 2 -0.134065541528E+04 -0.42168E-02 -0.46666E-02 1664 0.231E-01 0.174E-01 DAV: 3 -0.134065518602E+04 0.22926E-03 -0.12225E-03 1760 0.418E-02 0.110E-01 DAV: 4 -0.134065506628E+04 0.11974E-03 -0.10117E-03 1536 0.423E-02 0.410E-02 DAV: 5 -0.134065505784E+04 0.84426E-05 -0.17120E-04 1344 0.183E-02 658 F= -.13590103E+04 E0= -.13590103E+04 d E =-.819712E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134063941438E+04 0.15652E-01 -0.18443E+01 1408 0.492E+00 0.106E+00 DAV: 2 -0.134067782973E+04 -0.38415E-01 -0.42417E-01 1696 0.695E-01 0.516E-01 DAV: 3 -0.134067584844E+04 0.19813E-02 -0.10840E-02 1760 0.128E-01 0.317E-01 DAV: 4 -0.134067492116E+04 0.92728E-03 -0.86491E-03 1632 0.123E-01 0.123E-01 DAV: 5 -0.134067483854E+04 0.82620E-04 -0.14467E-03 1664 0.534E-02 0.738E-02 DAV: 6 -0.134067482075E+04 0.17786E-04 -0.65595E-04 1408 0.286E-02 659 F= -.13590230E+04 E0= -.13590230E+04 d E =-.209150E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134068195125E+04 -0.71127E-02 -0.36086E+00 1408 0.220E+00 0.540E-01 DAV: 2 -0.134068958910E+04 -0.76378E-02 -0.88096E-02 1696 0.322E-01 0.243E-01 DAV: 3 -0.134068918762E+04 0.40148E-03 -0.23801E-03 1760 0.591E-02 0.149E-01 DAV: 4 -0.134068902903E+04 0.15859E-03 -0.13468E-03 1568 0.458E-02 0.678E-02 DAV: 5 -0.134068902112E+04 0.79091E-05 -0.21350E-04 1472 0.216E-02 660 F= -.13590353E+04 E0= -.13590353E+04 d E =-.122527E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134066698178E+04 0.22047E-01 -0.18178E+01 1408 0.494E+00 0.120E+00 DAV: 2 -0.134070534351E+04 -0.38362E-01 -0.44335E-01 1696 0.725E-01 0.558E-01 DAV: 3 -0.134070318926E+04 0.21542E-02 -0.12085E-02 1728 0.133E-01 0.343E-01 DAV: 4 -0.134070227801E+04 0.91125E-03 -0.70369E-03 1632 0.105E-01 0.157E-01 DAV: 5 -0.134070219235E+04 0.85659E-04 -0.11664E-03 1696 0.494E-02 0.675E-02 DAV: 6 -0.134070221973E+04 -0.27380E-04 -0.27929E-04 1440 0.202E-02 661 F= -.13590440E+04 E0= -.13590440E+04 d E =-.210028E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134070023147E+04 0.19609E-02 -0.75715E-01 1408 0.101E+00 0.239E-01 DAV: 2 -0.134070180686E+04 -0.15754E-02 -0.18270E-02 1696 0.148E-01 0.116E-01 DAV: 3 -0.134070171748E+04 0.89378E-04 -0.50845E-04 1536 0.278E-02 662 F= -.13590444E+04 E0= -.13590444E+04 d E =-.214196E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134069948921E+04 0.23176E-02 -0.64176E+00 1408 0.290E+00 0.647E-01 DAV: 2 -0.134071332449E+04 -0.13835E-01 -0.15277E-01 1664 0.419E-01 0.327E-01 DAV: 3 -0.134071257659E+04 0.74790E-03 -0.35914E-03 1760 0.740E-02 0.210E-01 DAV: 4 -0.134071226248E+04 0.31411E-03 -0.36546E-03 1632 0.771E-02 0.797E-02 DAV: 5 -0.134071222692E+04 0.35554E-04 -0.63117E-04 1632 0.336E-02 663 F= -.13590540E+04 E0= -.13590540E+04 d E =-.962768E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134069677316E+04 0.15489E-01 -0.10911E+01 1408 0.378E+00 0.863E-01 DAV: 2 -0.134071990586E+04 -0.23133E-01 -0.25846E-01 1696 0.545E-01 0.442E-01 DAV: 3 -0.134071867583E+04 0.12300E-02 -0.63129E-03 1728 0.977E-02 0.285E-01 DAV: 4 -0.134071817146E+04 0.50437E-03 -0.63640E-03 1600 0.102E-01 0.108E-01 DAV: 5 -0.134071810432E+04 0.67149E-04 -0.11047E-03 1664 0.446E-02 0.685E-02 DAV: 6 -0.134071810022E+04 0.40971E-05 -0.42625E-04 1408 0.219E-02 664 F= -.13590587E+04 E0= -.13590587E+04 d E =-.142971E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134071792092E+04 0.18340E-03 -0.69517E+00 1408 0.297E+00 0.566E-01 DAV: 2 -0.134073243820E+04 -0.14517E-01 -0.15515E-01 1600 0.417E-01 0.281E-01 DAV: 3 -0.134073179707E+04 0.64113E-03 -0.33479E-03 1728 0.690E-02 0.179E-01 DAV: 4 -0.134073146991E+04 0.32716E-03 -0.26181E-03 1632 0.695E-02 0.634E-02 DAV: 5 -0.134073147112E+04 -0.12108E-05 -0.47821E-04 1504 0.287E-02 665 F= -.13590708E+04 E0= -.13590708E+04 d E =-.120934E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134062947352E+04 0.10200E+00 -0.62334E+01 1408 0.890E+00 0.171E+00 DAV: 2 -0.134076116096E+04 -0.13169E+00 -0.14088E+00 1632 0.125E+00 0.857E-01 DAV: 3 -0.134075549937E+04 0.56616E-02 -0.32035E-02 1760 0.214E-01 0.563E-01 DAV: 4 -0.134075216759E+04 0.33318E-02 -0.23239E-02 1632 0.206E-01 0.204E-01 DAV: 5 -0.134075209551E+04 0.72082E-04 -0.43560E-03 1664 0.872E-02 0.128E-01 DAV: 6 -0.134075209552E+04 -0.16182E-07 -0.15887E-03 1568 0.419E-02 0.647E-02 DAV: 7 -0.134075210243E+04 -0.69085E-05 -0.15909E-04 1312 0.189E-02 666 F= -.13590872E+04 E0= -.13590872E+04 d E =-.284946E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134075540337E+04 -0.33078E-02 -0.24274E+00 1408 0.174E+00 0.320E-01 DAV: 2 -0.134076046951E+04 -0.50661E-02 -0.53876E-02 1664 0.244E-01 0.165E-01 DAV: 3 -0.134076026321E+04 0.20631E-03 -0.11556E-03 1728 0.404E-02 0.104E-01 DAV: 4 -0.134076018390E+04 0.79303E-04 -0.74467E-04 1536 0.366E-02 667 F= -.13590947E+04 E0= -.13590947E+04 d E =-.747868E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134074602436E+04 0.14239E-01 -0.17042E+01 1408 0.461E+00 0.871E-01 DAV: 2 -0.134078113908E+04 -0.35115E-01 -0.37467E-01 1664 0.643E-01 0.442E-01 DAV: 3 -0.134077966720E+04 0.14719E-02 -0.83819E-03 1760 0.109E-01 0.278E-01 DAV: 4 -0.134077892996E+04 0.73724E-03 -0.52190E-03 1632 0.969E-02 0.101E-01 DAV: 5 -0.134077893579E+04 -0.58236E-05 -0.92768E-04 1600 0.422E-02 668 F= -.13591117E+04 E0= -.13591117E+04 d E =-.244999E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134067040550E+04 0.10852E+00 -0.67949E+01 1408 0.921E+00 0.177E+00 DAV: 2 -0.134081341120E+04 -0.14301E+00 -0.15192E+00 1664 0.129E+00 0.882E-01 DAV: 3 -0.134080755486E+04 0.58563E-02 -0.33813E-02 1824 0.217E-01 0.565E-01 DAV: 4 -0.134080444217E+04 0.31127E-02 -0.20181E-02 1632 0.189E-01 0.209E-01 DAV: 5 -0.134080441957E+04 0.22606E-04 -0.36192E-03 1728 0.839E-02 0.114E-01 DAV: 6 -0.134080452803E+04 -0.10847E-03 -0.12598E-03 1536 0.388E-02 0.575E-02 DAV: 7 -0.134080452971E+04 -0.16756E-05 -0.14914E-04 1440 0.178E-02 669 F= -.13591333E+04 E0= -.13591333E+04 d E =-.460777E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134078215725E+04 0.22371E-01 -0.14048E+01 1408 0.419E+00 0.788E-01 DAV: 2 -0.134081124167E+04 -0.29084E-01 -0.30967E-01 1664 0.587E-01 0.399E-01 DAV: 3 -0.134081004370E+04 0.11980E-02 -0.68778E-03 1824 0.976E-02 0.254E-01 DAV: 4 -0.134080941263E+04 0.63107E-03 -0.43284E-03 1632 0.888E-02 0.902E-02 DAV: 5 -0.134080942420E+04 -0.11568E-04 -0.77941E-04 1600 0.386E-02 670 F= -.13591361E+04 E0= -.13591361E+04 d E =-.489273E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134081274014E+04 -0.33275E-02 -0.66031E+00 1408 0.288E+00 0.627E-01 DAV: 2 -0.134082625962E+04 -0.13519E-01 -0.14671E-01 1664 0.409E-01 0.311E-01 DAV: 3 -0.134082547329E+04 0.78633E-03 -0.34508E-03 1856 0.743E-02 0.186E-01 DAV: 4 -0.134082520682E+04 0.26647E-03 -0.24687E-03 1632 0.660E-02 0.614E-02 DAV: 5 -0.134082520688E+04 -0.60958E-07 -0.43610E-04 1536 0.294E-02 671 F= -.13591502E+04 E0= -.13591502E+04 d E =-.140321E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134081109316E+04 0.14114E-01 -0.12279E+01 1408 0.393E+00 0.852E-01 DAV: 2 -0.134083622154E+04 -0.25128E-01 -0.27265E-01 1696 0.554E-01 0.429E-01 DAV: 3 -0.134083468808E+04 0.15335E-02 -0.64082E-03 1856 0.100E-01 0.256E-01 DAV: 4 -0.134083411292E+04 0.57517E-03 -0.45039E-03 1632 0.896E-02 0.807E-02 DAV: 5 -0.134083411224E+04 0.67800E-06 -0.79435E-04 1600 0.398E-02 672 F= -.13591566E+04 E0= -.13591566E+04 d E =-.204794E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134084022348E+04 -0.61106E-02 -0.30014E+00 1408 0.197E+00 0.457E-01 DAV: 2 -0.134084646840E+04 -0.62449E-02 -0.67787E-02 1696 0.278E-01 0.219E-01 DAV: 3 -0.134084618445E+04 0.28394E-03 -0.17435E-03 1856 0.514E-02 0.132E-01 DAV: 4 -0.134084609577E+04 0.88683E-04 -0.11651E-03 1600 0.463E-02 0.465E-02 DAV: 5 -0.134084609741E+04 -0.16413E-05 -0.20450E-04 1440 0.207E-02 673 F= -.13591663E+04 E0= -.13591663E+04 d E =-.964329E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134082038931E+04 0.25706E-01 -0.23265E+01 1408 0.548E+00 0.127E+00 DAV: 2 -0.134086822313E+04 -0.47834E-01 -0.51878E-01 1696 0.767E-01 0.595E-01 DAV: 3 -0.134086586202E+04 0.23611E-02 -0.13555E-02 1856 0.141E-01 0.355E-01 DAV: 4 -0.134086485283E+04 0.10092E-02 -0.82172E-03 1664 0.125E-01 0.121E-01 DAV: 5 -0.134086482258E+04 0.30246E-04 -0.14679E-03 1664 0.540E-02 0.719E-02 DAV: 6 -0.134086483656E+04 -0.13984E-04 -0.56756E-04 1536 0.273E-02 674 F= -.13591784E+04 E0= -.13591784E+04 d E =-.217937E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134087056711E+04 -0.57445E-02 -0.25530E+00 1472 0.182E+00 0.343E-01 DAV: 2 -0.134087581509E+04 -0.52480E-02 -0.57012E-02 1632 0.257E-01 0.184E-01 DAV: 3 -0.134087562415E+04 0.19094E-03 -0.14360E-03 1856 0.447E-02 0.113E-01 DAV: 4 -0.134087553245E+04 0.91701E-04 -0.70997E-04 1568 0.369E-02 675 F= -.13591877E+04 E0= -.13591877E+04 d E =-.926383E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134085868133E+04 0.16943E-01 -0.19082E+01 1408 0.498E+00 0.944E-01 DAV: 2 -0.134089751436E+04 -0.38833E-01 -0.42517E-01 1632 0.700E-01 0.526E-01 DAV: 3 -0.134089581999E+04 0.16944E-02 -0.10888E-02 1888 0.125E-01 0.323E-01 DAV: 4 -0.134089491861E+04 0.90138E-03 -0.56809E-03 1632 0.103E-01 0.122E-01 DAV: 5 -0.134089488784E+04 0.30771E-04 -0.11010E-03 1664 0.490E-02 0.571E-02 DAV: 6 -0.134089491516E+04 -0.27315E-04 -0.30210E-04 1440 0.217E-02 676 F= -.13592031E+04 E0= -.13592031E+04 d E =-.246998E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134074112114E+04 0.15377E+00 -0.76316E+01 1408 0.994E+00 0.190E+00 DAV: 2 -0.134089900559E+04 -0.15788E+00 -0.17179E+00 1664 0.141E+00 0.105E+00 DAV: 3 -0.134089227232E+04 0.67333E-02 -0.43856E-02 1888 0.246E-01 0.660E-01 DAV: 4 -0.134088840369E+04 0.38686E-02 -0.20694E-02 1696 0.199E-01 0.248E-01 DAV: 5 -0.134088828097E+04 0.12272E-03 -0.43128E-03 1728 0.967E-02 0.118E-01 DAV: 6 -0.134088836642E+04 -0.85449E-04 -0.11471E-03 1664 0.407E-02 0.614E-02 DAV: 7 -0.134088833510E+04 0.31319E-04 -0.16347E-04 1376 0.199E-02 677 F= -.13591886E+04 E0= -.13591886E+04 d E =-.102049E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134081574961E+04 0.72617E-01 -0.43381E+01 1408 0.749E+00 0.148E+00 DAV: 2 -0.134090539090E+04 -0.89641E-01 -0.97419E-01 1696 0.106E+00 0.788E-01 DAV: 3 -0.134090127879E+04 0.41121E-02 -0.25103E-02 1792 0.191E-01 0.465E-01 DAV: 4 -0.134089940484E+04 0.18740E-02 -0.12974E-02 1632 0.152E-01 0.177E-01 DAV: 5 -0.134089933464E+04 0.70195E-04 -0.23322E-03 1728 0.712E-02 0.829E-02 DAV: 6 -0.134089939115E+04 -0.56511E-04 -0.62525E-04 1536 0.301E-02 678 F= -.13592056E+04 E0= -.13592056E+04 d E =-.272303E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134090057222E+04 -0.12376E-02 -0.68229E+00 1408 0.298E+00 0.672E-01 DAV: 2 -0.134091436130E+04 -0.13789E-01 -0.14914E-01 1728 0.419E-01 0.315E-01 DAV: 3 -0.134091353476E+04 0.82654E-03 -0.36467E-03 1824 0.735E-02 0.193E-01 DAV: 4 -0.134091317948E+04 0.35528E-03 -0.25904E-03 1696 0.707E-02 0.562E-02 DAV: 5 -0.134091317470E+04 0.47782E-05 -0.51401E-04 1568 0.305E-02 679 F= -.13592172E+04 E0= -.13592172E+04 d E =-.115833E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134090718033E+04 0.59991E-02 -0.65816E+00 1408 0.293E+00 0.675E-01 DAV: 2 -0.134092071651E+04 -0.13536E-01 -0.14603E-01 1664 0.414E-01 0.310E-01 DAV: 3 -0.134091997269E+04 0.74382E-03 -0.35110E-03 1856 0.730E-02 0.189E-01 DAV: 4 -0.134091966184E+04 0.31085E-03 -0.25217E-03 1696 0.706E-02 0.570E-02 DAV: 5 -0.134091965444E+04 0.74053E-05 -0.50996E-04 1568 0.306E-02 680 F= -.13592216E+04 E0= -.13592216E+04 d E =-.159182E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134092422968E+04 -0.45678E-02 -0.32305E+00 1472 0.208E+00 0.400E-01 DAV: 2 -0.134093076598E+04 -0.65363E-02 -0.70892E-02 1664 0.291E-01 0.197E-01 DAV: 3 -0.134093046273E+04 0.30324E-03 -0.17105E-03 1824 0.514E-02 0.120E-01 DAV: 4 -0.134093032246E+04 0.14027E-03 -0.96262E-04 1600 0.441E-02 0.412E-02 DAV: 5 -0.134093032647E+04 -0.40097E-05 -0.17703E-04 1408 0.196E-02 681 F= -.13592307E+04 E0= -.13592307E+04 d E =-.912546E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134090627023E+04 0.24052E-01 -0.20377E+01 1408 0.523E+00 0.993E-01 DAV: 2 -0.134094739962E+04 -0.41129E-01 -0.44574E-01 1664 0.732E-01 0.496E-01 DAV: 3 -0.134094534891E+04 0.20507E-02 -0.10968E-02 1856 0.128E-01 0.305E-01 DAV: 4 -0.134094429894E+04 0.10500E-02 -0.61769E-03 1632 0.111E-01 0.103E-01 DAV: 5 -0.134094430587E+04 -0.69386E-05 -0.11867E-03 1664 0.495E-02 0.576E-02 DAV: 6 -0.134094431887E+04 -0.12990E-04 -0.32022E-04 1472 0.223E-02 682 F= -.13592408E+04 E0= -.13592408E+04 d E =-.192859E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134094880442E+04 -0.44985E-02 -0.18342E+00 1472 0.159E+00 0.356E-01 DAV: 2 -0.134095262471E+04 -0.38203E-02 -0.40721E-02 1600 0.222E-01 0.145E-01 DAV: 3 -0.134095249075E+04 0.13396E-03 -0.10149E-03 1824 0.386E-02 0.868E-02 DAV: 4 -0.134095245311E+04 0.37648E-04 -0.54036E-04 1472 0.335E-02 683 F= -.13592486E+04 E0= -.13592486E+04 d E =-.778973E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134093703405E+04 0.15457E-01 -0.16470E+01 1408 0.477E+00 0.105E+00 DAV: 2 -0.134097099056E+04 -0.33957E-01 -0.36497E-01 1600 0.663E-01 0.439E-01 DAV: 3 -0.134096950830E+04 0.14823E-02 -0.93099E-03 1920 0.118E-01 0.264E-01 DAV: 4 -0.134096887019E+04 0.63811E-03 -0.52771E-03 1632 0.104E-01 0.916E-02 DAV: 5 -0.134096887185E+04 -0.16589E-05 -0.97919E-04 1632 0.453E-02 684 F= -.13592641E+04 E0= -.13592641E+04 d E =-.232348E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134083543901E+04 0.13343E+00 -0.65737E+01 1408 0.951E+00 0.213E+00 DAV: 2 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-.13592680E+04 E0= -.13592680E+04 d E =-.271269E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134096963160E+04 0.37916E-02 -0.77827E+00 1408 0.328E+00 0.600E-01 DAV: 2 -0.134098528034E+04 -0.15649E-01 -0.16761E-01 1664 0.452E-01 0.311E-01 DAV: 3 -0.134098451767E+04 0.76267E-03 -0.39846E-03 1920 0.767E-02 0.191E-01 DAV: 4 -0.134098414912E+04 0.36856E-03 -0.25378E-03 1632 0.714E-02 0.612E-02 DAV: 5 -0.134098414984E+04 -0.72064E-06 -0.47602E-04 1600 0.306E-02 687 F= -.13592780E+04 E0= -.13592780E+04 d E =-.100559E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134095636371E+04 0.27785E-01 -0.19055E+01 1408 0.513E+00 0.955E-01 DAV: 2 -0.134099520836E+04 -0.38845E-01 -0.41470E-01 1664 0.708E-01 0.481E-01 DAV: 3 -0.134099340707E+04 0.18013E-02 -0.96140E-03 1856 0.120E-01 0.294E-01 DAV: 4 -0.134099255310E+04 0.85397E-03 -0.59627E-03 1632 0.110E-01 0.951E-02 DAV: 5 -0.134099256001E+04 -0.69125E-05 -0.11360E-03 1632 0.477E-02 0.559E-02 DAV: 6 -0.134099257068E+04 -0.10670E-04 -0.34239E-04 1472 0.220E-02 688 F= -.13592855E+04 E0= -.13592855E+04 d E =-.175350E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134099462692E+04 -0.20669E-02 -0.62172E+00 1408 0.298E+00 0.664E-01 DAV: 2 -0.134100733832E+04 -0.12711E-01 -0.13726E-01 1632 0.416E-01 0.278E-01 DAV: 3 -0.134100665097E+04 0.68735E-03 -0.33224E-03 1856 0.733E-02 0.164E-01 DAV: 4 -0.134100639118E+04 0.25979E-03 -0.21414E-03 1696 0.669E-02 0.564E-02 DAV: 5 -0.134100639808E+04 -0.69040E-05 -0.38850E-04 1536 0.278E-02 689 F= -.13592984E+04 E0= -.13592984E+04 d E =-.129330E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134097742053E+04 0.28971E-01 -0.19403E+01 1408 0.526E+00 0.117E+00 DAV: 2 -0.134101712018E+04 -0.39700E-01 -0.42874E-01 1632 0.735E-01 0.498E-01 DAV: 3 -0.134101484002E+04 0.22802E-02 -0.10310E-02 1856 0.131E-01 0.293E-01 DAV: 4 -0.134101394422E+04 0.89581E-03 -0.67995E-03 1632 0.120E-01 0.101E-01 DAV: 5 -0.134101394969E+04 -0.54781E-05 -0.12712E-03 1664 0.504E-02 0.649E-02 DAV: 6 -0.134101395096E+04 -0.12680E-05 -0.42135E-04 1440 0.246E-02 690 F= -.13593045E+04 E0= -.13593045E+04 d E =-.189824E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134101164178E+04 0.23079E-02 -0.14262E+00 1408 0.142E+00 0.307E-01 DAV: 2 -0.134101451765E+04 -0.28759E-02 -0.31135E-02 1632 0.199E-01 0.135E-01 DAV: 3 -0.134101436075E+04 0.15690E-03 -0.76656E-04 1728 0.355E-02 0.793E-02 DAV: 4 -0.134101432123E+04 0.39525E-04 -0.53983E-04 1600 0.331E-02 691 F= -.13593053E+04 E0= -.13593053E+04 d E =-.197507E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134101615326E+04 -0.17925E-02 -0.51900E+00 1408 0.272E+00 0.500E-01 DAV: 2 -0.134102652601E+04 -0.10373E-01 -0.11286E-01 1632 0.376E-01 0.267E-01 DAV: 3 -0.134102604310E+04 0.48291E-03 -0.27950E-03 1856 0.643E-02 0.168E-01 DAV: 4 -0.134102582055E+04 0.22255E-03 -0.19694E-03 1664 0.625E-02 0.596E-02 DAV: 5 -0.134102581265E+04 0.79047E-05 -0.35991E-04 1536 0.278E-02 692 F= -.13593157E+04 E0= -.13593157E+04 d E =-.104334E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134101144838E+04 0.14372E-01 -0.13248E+01 1408 0.435E+00 0.822E-01 DAV: 2 -0.134103814625E+04 -0.26698E-01 -0.29187E-01 1632 0.606E-01 0.430E-01 DAV: 3 -0.134103693445E+04 0.12118E-02 -0.72885E-03 1888 0.106E-01 0.269E-01 DAV: 4 -0.134103639742E+04 0.53703E-03 -0.52900E-03 1632 0.102E-01 0.101E-01 DAV: 5 -0.134103635578E+04 0.41633E-04 -0.95588E-04 1632 0.457E-02 693 F= -.13593246E+04 E0= -.13593246E+04 d E =-.193595E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134093362756E+04 0.10277E+00 -0.52978E+01 1408 0.871E+00 0.166E+00 DAV: 2 -0.134104079594E+04 -0.10717E+00 -0.11695E+00 1632 0.121E+00 0.854E-01 DAV: 3 -0.134103598357E+04 0.48124E-02 -0.30011E-02 1888 0.214E-01 0.533E-01 DAV: 4 -0.134103364146E+04 0.23421E-02 -0.20404E-02 1632 0.202E-01 0.201E-01 DAV: 5 -0.134103348227E+04 0.15919E-03 -0.37270E-03 1664 0.906E-02 0.129E-01 DAV: 6 -0.134103353994E+04 -0.57667E-04 -0.13278E-03 1664 0.442E-02 0.738E-02 DAV: 7 -0.134103351965E+04 0.20290E-04 -0.16898E-04 1440 0.200E-02 694 F= -.13593188E+04 E0= -.13593188E+04 d E =-.135695E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134099112034E+04 0.42420E-01 -0.25509E+01 1408 0.604E+00 0.121E+00 DAV: 2 -0.134104241918E+04 -0.51299E-01 -0.55957E-01 1664 0.837E-01 0.594E-01 DAV: 3 -0.134103993231E+04 0.24869E-02 -0.14446E-02 1888 0.149E-01 0.356E-01 DAV: 4 -0.134103891977E+04 0.10125E-02 -0.91033E-03 1664 0.131E-01 0.136E-01 DAV: 5 -0.134103886453E+04 0.55242E-04 -0.15913E-03 1664 0.587E-02 0.758E-02 DAV: 6 -0.134103890226E+04 -0.37730E-04 -0.57582E-04 1600 0.289E-02 695 F= -.13593262E+04 E0= -.13593262E+04 d E =-.209616E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134103904494E+04 -0.18041E-03 -0.61469E+00 1408 0.297E+00 0.764E-01 DAV: 2 -0.134105175547E+04 -0.12711E-01 -0.14006E-01 1600 0.421E-01 0.318E-01 DAV: 3 -0.134105097007E+04 0.78539E-03 -0.38317E-03 1856 0.813E-02 0.168E-01 DAV: 4 -0.134105069755E+04 0.27252E-03 -0.19424E-03 1696 0.613E-02 0.625E-02 DAV: 5 -0.134105067890E+04 0.18652E-04 -0.36122E-04 1568 0.275E-02 696 F= -.13593360E+04 E0= -.13593360E+04 d E =-.980839E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134105027968E+04 0.41787E-03 -0.12251E+00 1472 0.133E+00 0.349E-01 DAV: 2 -0.134105284062E+04 -0.25609E-02 -0.28294E-02 1632 0.189E-01 0.142E-01 DAV: 3 -0.134105268747E+04 0.15315E-03 -0.73454E-04 1696 0.368E-02 0.751E-02 DAV: 4 -0.134105263837E+04 0.49097E-04 -0.38430E-04 1536 0.281E-02 697 F= -.13593371E+04 E0= -.13593371E+04 d E =-.109028E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134105536647E+04 -0.26790E-02 -0.36604E+00 1408 0.234E+00 0.580E-01 DAV: 2 -0.134106260378E+04 -0.72373E-02 -0.81318E-02 1664 0.327E-01 0.221E-01 DAV: 3 -0.134106216216E+04 0.44162E-03 -0.22189E-03 1824 0.621E-02 0.133E-01 DAV: 4 -0.134106202283E+04 0.13933E-03 -0.17235E-03 1632 0.594E-02 0.511E-02 DAV: 5 -0.134106201331E+04 0.95130E-05 -0.31896E-04 1536 0.254E-02 698 F= -.13593453E+04 E0= -.13593453E+04 d E =-.814676E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134103885116E+04 0.23172E-01 -0.17263E+01 1408 0.508E+00 0.126E+00 DAV: 2 -0.134107330548E+04 -0.34454E-01 -0.38397E-01 1664 0.710E-01 0.476E-01 DAV: 3 -0.134107123712E+04 0.20684E-02 -0.10365E-02 1856 0.134E-01 0.283E-01 DAV: 4 -0.134107053281E+04 0.70431E-03 -0.79326E-03 1632 0.128E-01 0.108E-01 DAV: 5 -0.134107048103E+04 0.51777E-04 -0.14810E-03 1664 0.542E-02 0.791E-02 DAV: 6 -0.134107045669E+04 0.24338E-04 -0.52829E-04 1408 0.268E-02 699 F= -.13593511E+04 E0= -.13593511E+04 d E =-.140031E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134107327397E+04 -0.27929E-02 -0.11973E+00 1408 0.134E+00 0.267E-01 DAV: 2 -0.134107569954E+04 -0.24256E-02 -0.27036E-02 1632 0.189E-01 0.126E-01 DAV: 3 -0.134107559488E+04 0.10466E-03 -0.71539E-04 1760 0.352E-02 0.775E-02 DAV: 4 -0.134107556205E+04 0.32829E-04 -0.42010E-04 1472 0.293E-02 700 F= -.13593556E+04 E0= -.13593556E+04 d E =-.447035E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134106683852E+04 0.87564E-02 -0.10329E+01 1408 0.392E+00 0.763E-01 DAV: 2 -0.134108740669E+04 -0.20568E-01 -0.23151E-01 1632 0.554E-01 0.382E-01 DAV: 3 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DAV: 3 -0.134108899650E+04 0.21392E-02 -0.13105E-02 1856 0.148E-01 0.335E-01 DAV: 4 -0.134108801301E+04 0.98349E-03 -0.75720E-03 1600 0.120E-01 0.132E-01 DAV: 5 -0.134108796831E+04 0.44703E-04 -0.14511E-03 1728 0.576E-02 0.611E-02 DAV: 6 -0.134108800822E+04 -0.39905E-04 -0.30994E-04 1408 0.227E-02 703 F= -.13593652E+04 E0= -.13593652E+04 d E =-.140989E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134109232511E+04 -0.43568E-02 -0.35057E-01 1536 0.753E-01 0.251E-01 DAV: 2 -0.134109306782E+04 -0.74271E-03 -0.89233E-03 1632 0.115E-01 0.118E-01 DAV: 3 -0.134109299531E+04 0.72514E-04 -0.33137E-04 1504 0.264E-02 704 F= -.13593703E+04 E0= -.13593703E+04 d E =-.506956E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134109469205E+04 -0.16242E-02 -0.18052E+00 1408 0.171E+00 0.574E-01 DAV: 2 -0.134109839829E+04 -0.37062E-02 -0.45549E-02 1632 0.260E-01 0.269E-01 DAV: 3 -0.134109805675E+04 0.34154E-03 -0.17998E-03 1696 0.601E-02 0.141E-01 DAV: 4 -0.134109797139E+04 0.85358E-04 -0.74565E-04 1632 0.390E-02 705 F= -.13593755E+04 E0= -.13593755E+04 d E =-.102366E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134110149076E+04 -0.34340E-02 -0.45870E-01 1408 0.873E-01 0.380E-01 DAV: 2 -0.134110241499E+04 -0.92423E-03 -0.11469E-02 1728 0.128E-01 0.123E-01 DAV: 3 -0.134110231973E+04 0.95257E-04 -0.37531E-04 1600 0.280E-02 706 F= -.13593803E+04 E0= -.13593803E+04 d E =-.487144E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134109973064E+04 0.26843E-02 -0.29415E+00 1408 0.221E+00 0.940E-01 DAV: 2 -0.134110538996E+04 -0.56593E-02 -0.69864E-02 1696 0.319E-01 0.273E-01 DAV: 3 -0.134110485154E+04 0.53841E-03 -0.27759E-03 1760 0.703E-02 0.133E-01 DAV: 4 -0.134110470386E+04 0.14768E-03 -0.11923E-03 1632 0.505E-02 0.652E-02 DAV: 5 -0.134110470237E+04 0.14942E-05 -0.16549E-04 1312 0.196E-02 707 F= -.13593841E+04 E0= -.13593841E+04 d E =-.859103E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134110502170E+04 -0.31784E-03 -0.11905E-01 1408 0.445E-01 0.169E-01 DAV: 2 -0.134110525092E+04 -0.22922E-03 -0.27392E-03 1632 0.635E-02 0.491E-02 DAV: 3 -0.134110522844E+04 0.22481E-04 -0.91590E-05 1152 0.136E-02 708 F= -.13593843E+04 E0= -.13593843E+04 d E =-.884837E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134110725140E+04 -0.20005E-02 -0.68892E-01 1408 0.108E+00 0.380E-01 DAV: 2 -0.134110873755E+04 -0.14862E-02 -0.17539E-02 1664 0.162E-01 0.149E-01 DAV: 3 -0.134110859653E+04 0.14102E-03 -0.59527E-04 1696 0.361E-02 0.699E-02 DAV: 4 -0.134110856546E+04 0.31070E-04 -0.26384E-04 1472 0.233E-02 709 F= -.13593880E+04 E0= -.13593880E+04 d E =-.370419E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134110867557E+04 -0.79040E-04 -0.32412E-01 1472 0.738E-01 0.268E-01 DAV: 2 -0.134110935595E+04 -0.68038E-03 -0.82993E-03 1664 0.112E-01 0.108E-01 DAV: 3 -0.134110928411E+04 0.71842E-04 -0.29308E-04 1504 0.263E-02 710 F= -.13593890E+04 E0= -.13593890E+04 d E =-.467481E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111113485E+04 -0.17789E-02 -0.28636E-01 1472 0.697E-01 0.292E-01 DAV: 2 -0.134111173421E+04 -0.59936E-03 -0.74328E-03 1632 0.106E-01 0.114E-01 DAV: 3 -0.134111166729E+04 0.66914E-04 -0.27482E-04 1472 0.245E-02 711 F= -.13593917E+04 E0= -.13593917E+04 d E =-.269402E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111134699E+04 0.38722E-03 -0.80168E-01 1408 0.117E+00 0.479E-01 DAV: 2 -0.134111299198E+04 -0.16450E-02 -0.20669E-02 1632 0.178E-01 0.195E-01 DAV: 3 -0.134111280303E+04 0.18895E-03 -0.79386E-04 1760 0.407E-02 0.937E-02 DAV: 4 -0.134111276258E+04 0.40449E-04 -0.42036E-04 1472 0.286E-02 712 F= -.13593933E+04 E0= -.13593933E+04 d E =-.431043E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111413270E+04 -0.13297E-02 -0.14532E-01 1472 0.494E-01 0.122E-01 DAV: 2 -0.134111443245E+04 -0.29975E-03 -0.38108E-03 1664 0.742E-02 0.610E-02 DAV: 3 -0.134111440887E+04 0.23586E-04 -0.11593E-04 1280 0.157E-02 713 F= -.13593950E+04 E0= -.13593950E+04 d E =-.168521E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111537963E+04 -0.94718E-03 -0.12894E+00 1408 0.147E+00 0.344E-01 DAV: 2 -0.134111786087E+04 -0.24812E-02 -0.30930E-02 1632 0.214E-01 0.170E-01 DAV: 3 -0.134111768682E+04 0.17405E-03 -0.98062E-04 1760 0.422E-02 0.101E-01 DAV: 4 -0.134111762723E+04 0.59591E-04 -0.63377E-04 1472 0.334E-02 714 F= -.13593983E+04 E0= -.13593983E+04 d E =-.502032E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111778356E+04 -0.96744E-04 -0.27717E-01 1472 0.682E-01 0.168E-01 DAV: 2 -0.134111833511E+04 -0.55155E-03 -0.71222E-03 1664 0.102E-01 0.859E-02 DAV: 3 -0.134111828673E+04 0.48382E-04 -0.23033E-04 1408 0.218E-02 715 F= -.13593990E+04 E0= -.13593990E+04 d E =-.573377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134112104961E+04 -0.27145E-02 -0.31631E-01 1408 0.736E-01 0.271E-01 DAV: 2 -0.134112170970E+04 -0.66009E-03 -0.81569E-03 1632 0.112E-01 0.115E-01 DAV: 3 -0.134112164154E+04 0.68162E-04 -0.32037E-04 1504 0.256E-02 716 F= -.13594020E+04 E0= -.13594020E+04 d E =-.297269E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134112265617E+04 -0.94646E-03 -0.67921E-01 1472 0.108E+00 0.409E-01 DAV: 2 -0.134112406375E+04 -0.14076E-02 -0.17468E-02 1632 0.164E-01 0.182E-01 DAV: 3 -0.134112390442E+04 0.15933E-03 -0.67138E-04 1664 0.378E-02 0.982E-02 DAV: 4 -0.134112386893E+04 0.35493E-04 -0.36202E-04 1472 0.271E-02 717 F= -.13594037E+04 E0= -.13594037E+04 d E =-.463935E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134112577797E+04 -0.18735E-02 -0.43774E-01 1472 0.863E-01 0.251E-01 DAV: 2 -0.134112673340E+04 -0.95543E-03 -0.11158E-02 1632 0.130E-01 0.128E-01 DAV: 3 -0.134112666378E+04 0.69625E-04 -0.33714E-04 1504 0.269E-02 718 F= -.13594062E+04 E0= -.13594062E+04 d E =-.256032E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134112318932E+04 0.35441E-02 -0.39037E+00 1408 0.258E+00 0.742E-01 DAV: 2 -0.134113124916E+04 -0.80598E-02 -0.94969E-02 1632 0.381E-01 0.349E-01 DAV: 3 -0.134113067493E+04 0.57423E-03 -0.30806E-03 1760 0.779E-02 0.186E-01 DAV: 4 -0.134113054989E+04 0.12504E-03 -0.19868E-03 1632 0.614E-02 0.817E-02 DAV: 5 -0.134113053247E+04 0.17416E-04 -0.30722E-04 1472 0.263E-02 719 F= -.13594094E+04 E0= -.13594094E+04 d E =-.573079E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134113213425E+04 -0.15844E-02 -0.26350E-01 1472 0.662E-01 0.156E-01 DAV: 2 -0.134113272004E+04 -0.58579E-03 -0.68091E-03 1632 0.993E-02 0.645E-02 DAV: 3 -0.134113269180E+04 0.28241E-04 -0.18303E-04 1376 0.199E-02 720 F= -.13594115E+04 E0= -.13594115E+04 d E =-.210715E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134113236457E+04 0.35547E-03 -0.23735E+00 1408 0.199E+00 0.465E-01 DAV: 2 -0.134113738226E+04 -0.50177E-02 -0.56860E-02 1600 0.289E-01 0.197E-01 DAV: 3 -0.134113710938E+04 0.27289E-03 -0.16096E-03 1728 0.551E-02 0.114E-01 DAV: 4 -0.134113701307E+04 0.96310E-04 -0.10825E-03 1536 0.464E-02 0.482E-02 DAV: 5 -0.134113700224E+04 0.10830E-04 -0.17549E-04 1344 0.203E-02 721 F= -.13594157E+04 E0= -.13594157E+04 d E =-.626373E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134111739898E+04 0.19614E-01 -0.95243E+00 1408 0.398E+00 0.918E-01 DAV: 2 -0.134113825400E+04 -0.20855E-01 -0.23297E-01 1600 0.582E-01 0.390E-01 DAV: 3 -0.134113703724E+04 0.12168E-02 -0.61812E-03 1664 0.111E-01 0.226E-01 DAV: 4 -0.134113666592E+04 0.37132E-03 -0.47744E-03 1600 0.952E-02 0.100E-01 DAV: 5 -0.134113660400E+04 0.61920E-04 -0.82988E-04 1696 0.422E-02 722 F= -.13594150E+04 E0= -.13594150E+04 d E =-.556939E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134113273836E+04 0.39276E-02 -0.27995E+00 1408 0.215E+00 0.487E-01 DAV: 2 -0.134113876132E+04 -0.60230E-02 -0.67253E-02 1600 0.314E-01 0.210E-01 DAV: 3 -0.134113843852E+04 0.32280E-03 -0.18325E-03 1760 0.581E-02 0.122E-01 DAV: 4 -0.134113832799E+04 0.11052E-03 -0.12368E-03 1568 0.494E-02 0.500E-02 DAV: 5 -0.134113832189E+04 0.61005E-05 -0.20169E-04 1408 0.212E-02 723 F= -.13594168E+04 E0= -.13594168E+04 d E =-.744549E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114004509E+04 -0.17171E-02 -0.11297E+00 1408 0.138E+00 0.426E-01 DAV: 2 -0.134114250374E+04 -0.24587E-02 -0.27812E-02 1632 0.205E-01 0.184E-01 DAV: 3 -0.134114230639E+04 0.19735E-03 -0.82712E-04 1696 0.417E-02 0.970E-02 DAV: 4 -0.134114227419E+04 0.32199E-04 -0.51926E-04 1472 0.314E-02 724 F= -.13594210E+04 E0= -.13594210E+04 d E =-.417270E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114210146E+04 0.20492E-03 -0.11034E+00 1408 0.136E+00 0.429E-01 DAV: 2 -0.134114455249E+04 -0.24510E-02 -0.28057E-02 1632 0.204E-01 0.197E-01 DAV: 3 -0.134114435093E+04 0.20157E-03 -0.84948E-04 1728 0.436E-02 0.105E-01 DAV: 4 -0.134114433081E+04 0.20114E-04 -0.62892E-04 1472 0.338E-02 725 F= -.13594233E+04 E0= -.13594233E+04 d E =-.644830E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114420804E+04 0.14288E-03 -0.19361E-01 1472 0.571E-01 0.185E-01 DAV: 2 -0.134114465026E+04 -0.44222E-03 -0.51705E-03 1664 0.870E-02 0.905E-02 DAV: 3 -0.134114460895E+04 0.41310E-04 -0.15800E-04 1312 0.199E-02 726 F= -.13594237E+04 E0= -.13594237E+04 d E =-.681809E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114614359E+04 -0.14933E-02 -0.46251E-01 1408 0.894E-01 0.283E-01 DAV: 2 -0.134114710804E+04 -0.96445E-03 -0.11660E-02 1664 0.134E-01 0.989E-02 DAV: 3 -0.134114704075E+04 0.67298E-04 -0.37455E-04 1536 0.275E-02 727 F= -.13594268E+04 E0= -.13594268E+04 d E =-.316245E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114578857E+04 0.13195E-02 -0.11144E+00 1408 0.139E+00 0.440E-01 DAV: 2 -0.134114807234E+04 -0.22838E-02 -0.27675E-02 1664 0.206E-01 0.160E-01 DAV: 3 -0.134114789779E+04 0.17455E-03 -0.91418E-04 1664 0.432E-02 0.902E-02 DAV: 4 -0.134114785196E+04 0.45831E-04 -0.52320E-04 1568 0.322E-02 728 F= -.13594288E+04 E0= -.13594288E+04 d E =-.510888E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114940324E+04 -0.15055E-02 -0.51092E-01 1408 0.938E-01 0.246E-01 DAV: 2 -0.134115046523E+04 -0.10620E-02 -0.13302E-02 1600 0.144E-01 0.117E-01 DAV: 3 -0.134115040012E+04 0.65114E-04 -0.44968E-04 1600 0.300E-02 729 F= -.13594318E+04 E0= -.13594318E+04 d E =-.300041E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134114650795E+04 0.39573E-02 -0.27189E+00 1408 0.217E+00 0.572E-01 DAV: 2 -0.134115182415E+04 -0.53162E-02 -0.66836E-02 1600 0.325E-01 0.274E-01 DAV: 3 -0.134115149312E+04 0.33103E-03 -0.23567E-03 1792 0.660E-02 0.154E-01 DAV: 4 -0.134115138042E+04 0.11270E-03 -0.12346E-03 1600 0.476E-02 0.699E-02 DAV: 5 -0.134115135453E+04 0.25895E-04 -0.20948E-04 1408 0.250E-02 730 F= -.13594338E+04 E0= -.13594338E+04 d E =-.500362E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134115172272E+04 -0.34230E-03 -0.47227E-01 1472 0.900E-01 0.187E-01 DAV: 2 -0.134115271257E+04 -0.98985E-03 -0.11130E-02 1632 0.130E-01 0.804E-02 DAV: 3 -0.134115266092E+04 0.51645E-04 -0.27994E-04 1536 0.239E-02 731 F= -.13594356E+04 E0= -.13594356E+04 d E =-.179028E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134115021109E+04 0.25015E-02 -0.17217E+00 1408 0.172E+00 0.363E-01 DAV: 2 -0.134115359298E+04 -0.33819E-02 -0.39336E-02 1600 0.247E-01 0.160E-01 DAV: 3 -0.134115342154E+04 0.17143E-03 -0.11673E-03 1728 0.457E-02 0.967E-02 DAV: 4 -0.134115334365E+04 0.77890E-04 -0.71239E-04 1536 0.390E-02 732 F= -.13594372E+04 E0= -.13594372E+04 d E =-.340104E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134115567661E+04 -0.22551E-02 -0.16211E-01 1600 0.528E-01 0.217E-01 DAV: 2 -0.134115599684E+04 -0.32024E-03 -0.44426E-03 1728 0.821E-02 0.810E-02 DAV: 3 -0.134115595005E+04 0.46792E-04 -0.17512E-04 1408 0.195E-02 733 F= -.13594398E+04 E0= -.13594398E+04 d E =-.266943E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134115606668E+04 -0.69837E-04 -0.13597E+00 1408 0.153E+00 0.640E-01 DAV: 2 -0.134115866352E+04 -0.25968E-02 -0.36010E-02 1696 0.237E-01 0.239E-01 DAV: 3 -0.134115828620E+04 0.37732E-03 -0.15401E-03 1728 0.550E-02 0.126E-01 DAV: 4 -0.134115819803E+04 0.88169E-04 -0.96684E-04 1632 0.407E-02 734 F= -.13594423E+04 E0= -.13594423E+04 d E =-.510256E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134115820949E+04 0.76710E-04 -0.78039E-02 1568 0.368E-01 0.135E-01 DAV: 2 -0.134115836628E+04 -0.15679E-03 -0.19369E-03 1632 0.553E-02 0.498E-02 DAV: 3 -0.134115835168E+04 0.14594E-04 -0.67681E-05 1120 0.117E-02 735 F= -.13594424E+04 E0= -.13594424E+04 d E =-.521140E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134116045830E+04 -0.20920E-02 -0.22145E-01 1600 0.622E-01 0.246E-01 DAV: 2 -0.134116093161E+04 -0.47331E-03 -0.63464E-03 1696 0.983E-02 0.886E-02 DAV: 3 -0.134116087274E+04 0.58870E-04 -0.22841E-04 1440 0.213E-02 736 F= -.13594448E+04 E0= -.13594448E+04 d E =-.243137E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134116131685E+04 -0.38524E-03 -0.70860E-01 1408 0.111E+00 0.453E-01 DAV: 2 -0.134116263829E+04 -0.13214E-02 -0.19441E-02 1760 0.174E-01 0.166E-01 DAV: 3 -0.134116245405E+04 0.18423E-03 -0.79636E-04 1664 0.383E-02 0.805E-02 DAV: 4 -0.134116240698E+04 0.47071E-04 -0.35974E-04 1472 0.248E-02 737 F= -.13594462E+04 E0= -.13594462E+04 d E =-.380420E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134116236907E+04 0.84987E-04 -0.17979E-02 1600 0.178E-01 0.638E-02 DAV: 2 -0.134116240913E+04 -0.40067E-04 -0.47138E-04 1632 0.271E-02 738 F= -.13594462E+04 E0= -.13594462E+04 d E =-.383194E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134116321498E+04 -0.84591E-03 -0.16278E-01 1408 0.527E-01 0.206E-01 DAV: 2 -0.134116357845E+04 -0.36347E-03 -0.42936E-03 1664 0.803E-02 0.870E-02 DAV: 3 -0.134116354266E+04 0.35793E-04 -0.12062E-04 1216 0.174E-02 739 F= -.13594477E+04 E0= -.13594477E+04 d E =-.146143E-02