N E dE d eps ncg rms rms(c) DAV: 1 0.146463841956E+05 0.14646E+05 -0.60849E+05 1440 0.173E+03 DAV: 2 0.941055053146E+03 -0.13705E+05 -0.13235E+05 1984 0.374E+02 DAV: 3 -0.141625380595E+04 -0.23573E+04 -0.23488E+04 1664 0.163E+02 DAV: 4 -0.150056126790E+04 -0.84307E+02 -0.84030E+02 1728 0.342E+01 DAV: 5 -0.150376504573E+04 -0.32038E+01 -0.32004E+01 2208 0.584E+00 0.179E+02 DAV: 6 -0.134368582417E+04 0.16008E+03 -0.72244E+02 1696 0.295E+01 0.108E+02 DAV: 7 -0.134206946973E+04 0.16164E+01 -0.44656E+01 1792 0.795E+00 0.157E+01 DAV: 8 -0.134154231233E+04 0.52716E+00 -0.26178E+00 2048 0.228E+00 0.588E+00 DAV: 9 -0.134129246243E+04 0.24985E+00 -0.62313E-01 1664 0.140E+00 0.168E+00 DAV: 10 -0.134123664186E+04 0.55821E-01 -0.19748E-01 1792 0.784E-01 0.946E-01 DAV: 11 -0.134121153242E+04 0.25109E-01 -0.59274E-02 1728 0.478E-01 0.442E-01 DAV: 12 -0.134120060095E+04 0.10931E-01 -0.24095E-02 1760 0.356E-01 0.245E-01 DAV: 13 -0.134120285141E+04 -0.22505E-02 -0.17218E-02 1696 0.315E-01 0.170E-01 DAV: 14 -0.134121422621E+04 -0.11375E-01 -0.13775E-02 1632 0.267E-01 0.892E-02 DAV: 15 -0.134122314720E+04 -0.89210E-02 -0.80653E-03 1696 0.148E-01 0.969E-02 DAV: 16 -0.134122604974E+04 -0.29025E-02 -0.96831E-04 1760 0.393E-02 0.731E-02 DAV: 17 -0.134123033021E+04 -0.42805E-02 -0.36471E-04 1632 0.227E-02 0.335E-02 DAV: 18 -0.134123457693E+04 -0.42467E-02 -0.26696E-04 1632 0.203E-02 0.279E-02 DAV: 19 -0.134123692649E+04 -0.23496E-02 -0.15346E-04 1600 0.142E-02 0.166E-02 DAV: 20 -0.134123855423E+04 -0.16277E-02 -0.67681E-05 1472 0.101E-02 0.998E-03 DAV: 21 -0.134123951543E+04 -0.96120E-03 -0.40216E-05 1344 0.785E-03 0.752E-03 DAV: 22 -0.134124008617E+04 -0.57074E-03 -0.28179E-05 1376 0.783E-03 0.382E-03 DAV: 23 -0.134124026470E+04 -0.17852E-03 -0.50935E-06 1152 0.360E-03 0.386E-03 DAV: 24 -0.134124039808E+04 -0.13338E-03 -0.54902E-07 1088 0.185E-03 0.158E-03 DAV: 25 -0.134124052255E+04 -0.12447E-03 -0.82665E-07 1056 0.159E-03 0.165E-03 DAV: 26 -0.134124057332E+04 -0.50770E-04 0.12391E-06 1088 0.118E-03 0.776E-04 DAV: 27 -0.134124059799E+04 -0.24663E-04 0.19187E-06 1088 0.796E-04 0.801E-04 DAV: 28 -0.134124061486E+04 -0.16879E-04 0.21463E-06 1088 0.629E-04 0.453E-04 DAV: 29 -0.134124062355E+04 -0.86894E-05 0.23029E-06 1088 0.535E-04 1 F= -.13595248E+04 E0= -.13595248E+04 d E =-.135952E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.134123738374E+04 0.32311E-02 -0.13952E+00 1472 0.154E+00 0.859E-01 DAV: 2 -0.134124032327E+04 -0.29395E-02 -0.39578E-02 1632 0.245E-01 0.336E-01 DAV: 3 -0.134123982308E+04 0.50019E-03 -0.17852E-03 1696 0.578E-02 0.163E-01 DAV: 4 -0.134123971165E+04 0.11143E-03 -0.81610E-04 1632 0.385E-02 0.612E-02 DAV: 5 -0.134123970442E+04 0.72255E-05 -0.12279E-04 1664 0.166E-02 0.359E-02 DAV: 6 -0.134123970311E+04 0.13060E-05 -0.43201E-05 1472 0.847E-03 2 F= -.13595252E+04 E0= -.13595252E+04 d E =-.409982E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124113273E+04 -0.14283E-02 -0.30189E-01 1472 0.716E-01 0.401E-01 DAV: 2 -0.134124175910E+04 -0.62637E-03 -0.84771E-03 1632 0.114E-01 0.161E-01 DAV: 3 -0.134124166000E+04 0.99097E-04 -0.38951E-04 1664 0.271E-02 0.771E-02 DAV: 4 -0.134124164669E+04 0.13308E-04 -0.17856E-04 1632 0.180E-02 0.263E-02 DAV: 5 -0.134124164716E+04 -0.46733E-06 -0.24861E-05 1472 0.790E-03 3 F= -.13595265E+04 E0= -.13595265E+04 d E =-.173429E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124242311E+04 -0.77641E-03 -0.50418E-01 1472 0.920E-01 0.348E-01 DAV: 2 -0.134124341151E+04 -0.98841E-03 -0.12270E-02 1600 0.136E-01 0.118E-01 DAV: 3 -0.134124331521E+04 0.96297E-04 -0.43654E-04 1760 0.281E-02 0.672E-02 DAV: 4 -0.134124327884E+04 0.36370E-04 -0.21227E-04 1664 0.208E-02 0.260E-02 DAV: 5 -0.134124327372E+04 0.51269E-05 -0.36991E-05 1536 0.105E-02 4 F= -.13595284E+04 E0= -.13595284E+04 d E =-.188607E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124318715E+04 0.91696E-04 -0.81436E-02 1472 0.370E-01 0.144E-01 DAV: 2 -0.134124335113E+04 -0.16398E-03 -0.20250E-03 1600 0.551E-02 0.472E-02 DAV: 3 -0.134124333315E+04 0.17984E-04 -0.61492E-05 1600 0.113E-02 0.263E-02 DAV: 4 -0.134124332658E+04 0.65703E-05 -0.30558E-05 1440 0.861E-03 5 F= -.13595285E+04 E0= -.13595285E+04 d E =-.204299E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124394385E+04 -0.61071E-03 -0.28664E-01 1472 0.695E-01 0.186E-01 DAV: 2 -0.134124453345E+04 -0.58960E-03 -0.66312E-03 1632 0.998E-02 0.705E-02 DAV: 3 -0.134124449092E+04 0.42533E-04 -0.17208E-04 1760 0.192E-02 0.416E-02 DAV: 4 -0.134124448037E+04 0.10543E-04 -0.10058E-04 1568 0.151E-02 0.142E-02 DAV: 5 -0.134124448057E+04 -0.19236E-06 -0.17240E-05 1376 0.712E-03 6 F= -.13595302E+04 E0= -.13595302E+04 d E =-.161000E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124103523E+04 0.34451E-02 -0.20474E+00 1472 0.186E+00 0.504E-01 DAV: 2 -0.134124528114E+04 -0.42459E-02 -0.47380E-02 1664 0.266E-01 0.193E-01 DAV: 3 -0.134124495923E+04 0.32191E-03 -0.12233E-03 1760 0.511E-02 0.113E-01 DAV: 4 -0.134124485785E+04 0.10138E-03 -0.73414E-04 1664 0.406E-02 0.366E-02 DAV: 5 -0.134124485150E+04 0.63455E-05 -0.15065E-04 1664 0.189E-02 0.257E-02 DAV: 6 -0.134124485021E+04 0.12954E-05 -0.42728E-05 1600 0.831E-03 7 F= -.13595317E+04 E0= -.13595317E+04 d E =-.319372E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124553793E+04 -0.68642E-03 -0.13944E-01 1472 0.487E-01 0.111E-01 DAV: 2 -0.134124583259E+04 -0.29467E-03 -0.33053E-03 1600 0.712E-02 0.476E-02 DAV: 3 -0.134124581849E+04 0.14097E-04 -0.77223E-05 1760 0.128E-02 0.270E-02 DAV: 4 -0.134124581659E+04 0.19084E-05 -0.40892E-05 1536 0.990E-03 8 F= -.13595328E+04 E0= -.13595328E+04 d E =-.106127E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124545104E+04 0.36745E-03 -0.12521E+00 1472 0.146E+00 0.321E-01 DAV: 2 -0.134124809374E+04 -0.26427E-02 -0.29647E-02 1568 0.213E-01 0.146E-01 DAV: 3 -0.134124794029E+04 0.15344E-03 -0.71640E-04 1792 0.388E-02 0.837E-02 DAV: 4 -0.134124789667E+04 0.43628E-04 -0.43406E-04 1632 0.305E-02 0.330E-02 DAV: 5 -0.134124789423E+04 0.24334E-05 -0.80552E-05 1792 0.144E-02 9 F= -.13595352E+04 E0= -.13595352E+04 d E =-.342051E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134123839161E+04 0.95051E-02 -0.49978E+00 1408 0.291E+00 0.640E-01 DAV: 2 -0.134124898897E+04 -0.10597E-01 -0.11801E-01 1536 0.424E-01 0.287E-01 DAV: 3 -0.134124838303E+04 0.60594E-03 -0.28091E-03 1824 0.765E-02 0.165E-01 DAV: 4 -0.134124818765E+04 0.19539E-03 -0.16733E-03 1632 0.597E-02 0.644E-02 DAV: 5 -0.134124817317E+04 0.14471E-04 -0.31697E-04 1824 0.281E-02 0.311E-02 DAV: 6 -0.134124817888E+04 -0.57096E-05 -0.74303E-05 1568 0.114E-02 10 F= -.13595360E+04 E0= -.13595360E+04 d E =-.425431E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124737615E+04 0.79702E-03 -0.67238E-01 1472 0.107E+00 0.229E-01 DAV: 2 -0.134124879137E+04 -0.14152E-02 -0.15841E-02 1600 0.156E-01 0.107E-01 DAV: 3 -0.134124871221E+04 0.79157E-04 -0.38190E-04 1792 0.281E-02 0.625E-02 DAV: 4 -0.134124869435E+04 0.17862E-04 -0.23198E-04 1600 0.221E-02 0.246E-02 DAV: 5 -0.134124869507E+04 -0.72668E-06 -0.39717E-05 1600 0.104E-02 11 F= -.13595363E+04 E0= -.13595363E+04 d E =-.457112E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124985857E+04 -0.11642E-02 -0.68633E-01 1472 0.108E+00 0.248E-01 DAV: 2 -0.134125130857E+04 -0.14500E-02 -0.16643E-02 1600 0.159E-01 0.118E-01 DAV: 3 -0.134125122390E+04 0.84662E-04 -0.44832E-04 1856 0.294E-02 0.707E-02 DAV: 4 -0.134125119779E+04 0.26113E-04 -0.34680E-04 1632 0.268E-02 0.273E-02 DAV: 5 -0.134125119596E+04 0.18293E-05 -0.59708E-05 1728 0.119E-02 12 F= -.13595389E+04 E0= -.13595389E+04 d E =-.262472E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124211698E+04 0.90808E-02 -0.61599E+00 1408 0.324E+00 0.747E-01 DAV: 2 -0.134125527012E+04 -0.13153E-01 -0.15017E-01 1632 0.477E-01 0.349E-01 DAV: 3 -0.134125451019E+04 0.75993E-03 -0.40152E-03 1792 0.885E-02 0.209E-01 DAV: 4 -0.134125424670E+04 0.26349E-03 -0.31328E-03 1664 0.798E-02 0.836E-02 DAV: 5 -0.134125421329E+04 0.33418E-04 -0.55724E-04 1792 0.356E-02 0.517E-02 DAV: 6 -0.134125421500E+04 -0.17150E-05 -0.14282E-04 1600 0.151E-02 0.265E-02 DAV: 7 -0.134125421135E+04 0.36510E-05 -0.97772E-06 1184 0.570E-03 13 F= -.13595423E+04 E0= -.13595423E+04 d E =-.600220E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125371876E+04 0.49624E-03 -0.13755E+00 1408 0.153E+00 0.386E-01 DAV: 2 -0.134125664141E+04 -0.29226E-02 -0.32980E-02 1600 0.222E-01 0.157E-01 DAV: 3 -0.134125646130E+04 0.18011E-03 -0.88693E-04 1792 0.417E-02 0.889E-02 DAV: 4 -0.134125640785E+04 0.53443E-04 -0.58713E-04 1696 0.355E-02 0.351E-02 DAV: 5 -0.134125640471E+04 0.31469E-05 -0.10289E-04 1728 0.151E-02 0.243E-02 DAV: 6 -0.134125640511E+04 -0.40302E-06 -0.24190E-05 1408 0.655E-03 14 F= -.13595451E+04 E0= -.13595451E+04 d E =-.275411E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125558775E+04 0.81695E-03 -0.67664E-01 1472 0.107E+00 0.275E-01 DAV: 2 -0.134125702378E+04 -0.14360E-02 -0.16268E-02 1568 0.156E-01 0.111E-01 DAV: 3 -0.134125693929E+04 0.84492E-04 -0.43527E-04 1792 0.292E-02 0.617E-02 DAV: 4 -0.134125691598E+04 0.23310E-04 -0.27412E-04 1632 0.244E-02 0.246E-02 DAV: 5 -0.134125691522E+04 0.75952E-06 -0.46636E-05 1664 0.105E-02 15 F= -.13595460E+04 E0= -.13595460E+04 d E =-.365573E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125009825E+04 0.68177E-02 -0.27002E+00 1408 0.214E+00 0.549E-01 DAV: 2 -0.134125582507E+04 -0.57268E-02 -0.64727E-02 1568 0.311E-01 0.219E-01 DAV: 3 -0.134125547407E+04 0.35100E-03 -0.17429E-03 1824 0.587E-02 0.121E-01 DAV: 4 -0.134125537011E+04 0.10396E-03 -0.11115E-03 1664 0.487E-02 0.505E-02 DAV: 5 -0.134125536387E+04 0.62463E-05 -0.19286E-04 1760 0.207E-02 0.361E-02 DAV: 6 -0.134125536505E+04 -0.11814E-05 -0.40743E-05 1536 0.831E-03 16 F= -.13595452E+04 E0= -.13595452E+04 d E =-.288451E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125410386E+04 0.12600E-02 -0.14200E+00 1408 0.155E+00 0.391E-01 DAV: 2 -0.134125708097E+04 -0.29771E-02 -0.33546E-02 1600 0.224E-01 0.159E-01 DAV: 3 -0.134125689208E+04 0.18890E-03 -0.89548E-04 1824 0.420E-02 0.880E-02 DAV: 4 -0.134125684367E+04 0.48402E-04 -0.56109E-04 1696 0.343E-02 0.345E-02 DAV: 5 -0.134125684248E+04 0.11945E-05 -0.95786E-05 1760 0.147E-02 17 F= -.13595461E+04 E0= -.13595461E+04 d E =-.379736E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125711929E+04 -0.27562E-03 -0.18572E+00 1408 0.177E+00 0.354E-01 DAV: 2 -0.134126100483E+04 -0.38855E-02 -0.42468E-02 1600 0.252E-01 0.162E-01 DAV: 3 -0.134126081556E+04 0.18927E-03 -0.99528E-04 1824 0.440E-02 0.950E-02 DAV: 4 -0.134126074867E+04 0.66892E-04 -0.52202E-04 1632 0.342E-02 0.349E-02 DAV: 5 -0.134126074771E+04 0.95440E-06 -0.94769E-05 1792 0.157E-02 18 F= -.13595495E+04 E0= -.13595495E+04 d E =-.336182E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134125084568E+04 0.99030E-02 -0.67539E+00 1408 0.337E+00 0.681E-01 DAV: 2 -0.134126510944E+04 -0.14264E-01 -0.15552E-01 1600 0.482E-01 0.305E-01 DAV: 3 -0.134126444190E+04 0.66754E-03 -0.35929E-03 1792 0.844E-02 0.180E-01 DAV: 4 -0.134126420027E+04 0.24163E-03 -0.19467E-03 1632 0.656E-02 0.681E-02 DAV: 5 -0.134126419021E+04 0.10064E-04 -0.36258E-04 1824 0.306E-02 0.337E-02 DAV: 6 -0.134126419918E+04 -0.89731E-05 -0.91019E-05 1632 0.129E-02 19 F= -.13595519E+04 E0= -.13595519E+04 d E =-.576623E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134126463955E+04 -0.44934E-03 -0.12228E+00 1408 0.144E+00 0.246E-01 DAV: 2 -0.134126715054E+04 -0.25110E-02 -0.27215E-02 1568 0.202E-01 0.123E-01 DAV: 3 -0.134126704293E+04 0.10761E-03 -0.61243E-04 1888 0.335E-02 0.783E-02 DAV: 4 -0.134126699950E+04 0.43429E-04 -0.41800E-04 1600 0.313E-02 0.268E-02 DAV: 5 -0.134126700022E+04 -0.71374E-06 -0.81900E-05 1664 0.138E-02 20 F= -.13595545E+04 E0= -.13595545E+04 d E =-.266446E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124964256E+04 0.17357E-01 -0.10968E+01 1408 0.430E+00 0.732E-01 DAV: 2 -0.134127216458E+04 -0.22522E-01 -0.24378E-01 1600 0.605E-01 0.373E-01 DAV: 3 -0.134127114489E+04 0.10197E-02 -0.55478E-03 1888 0.101E-01 0.238E-01 DAV: 4 -0.134127067900E+04 0.46589E-03 -0.39799E-03 1632 0.964E-02 0.830E-02 DAV: 5 -0.134127067016E+04 0.88371E-05 -0.79849E-04 1696 0.424E-02 0.514E-02 DAV: 6 -0.134127067430E+04 -0.41381E-05 -0.29033E-04 1664 0.216E-02 0.247E-02 DAV: 7 -0.134127067162E+04 0.26785E-05 -0.24708E-05 1472 0.862E-03 21 F= -.13595578E+04 E0= -.13595578E+04 d E =-.590937E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134127076453E+04 -0.90233E-04 -0.98684E-01 1408 0.129E+00 0.269E-01 DAV: 2 -0.134127279564E+04 -0.20311E-02 -0.22381E-02 1600 0.184E-01 0.120E-01 DAV: 3 -0.134127269291E+04 0.10273E-03 -0.52920E-04 1888 0.316E-02 0.744E-02 DAV: 4 -0.134127265685E+04 0.36063E-04 -0.37220E-04 1728 0.294E-02 0.257E-02 DAV: 5 -0.134127265721E+04 -0.36346E-06 -0.69111E-05 1696 0.126E-02 22 F= -.13595599E+04 E0= -.13595599E+04 d E =-.208309E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134126909758E+04 0.35593E-02 -0.24268E+00 1408 0.202E+00 0.423E-01 DAV: 2 -0.134127408378E+04 -0.49862E-02 -0.54995E-02 1568 0.288E-01 0.190E-01 DAV: 3 -0.134127382564E+04 0.25814E-03 -0.12938E-03 1792 0.499E-02 0.117E-01 DAV: 4 -0.134127372816E+04 0.97477E-04 -0.91920E-04 1664 0.464E-02 0.406E-02 DAV: 5 -0.134127372564E+04 0.25228E-05 -0.17391E-04 1696 0.199E-02 0.262E-02 DAV: 6 -0.134127372719E+04 -0.15553E-05 -0.62031E-05 1632 0.990E-03 23 F= -.13595611E+04 E0= -.13595611E+04 d E =-.330398E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134127429757E+04 -0.57194E-03 -0.14137E+00 1408 0.153E+00 0.297E-01 DAV: 2 -0.134127720807E+04 -0.29105E-02 -0.32325E-02 1632 0.218E-01 0.156E-01 DAV: 3 -0.134127707147E+04 0.13660E-03 -0.78590E-04 1824 0.385E-02 0.936E-02 DAV: 4 -0.134127702941E+04 0.42064E-04 -0.52079E-04 1696 0.329E-02 0.350E-02 DAV: 5 -0.134127702635E+04 0.30567E-05 -0.95235E-05 1760 0.155E-02 24 F= -.13595639E+04 E0= -.13595639E+04 d E =-.283058E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134126055858E+04 0.16471E-01 -0.10567E+01 1408 0.418E+00 0.812E-01 DAV: 2 -0.134128234958E+04 -0.21791E-01 -0.24190E-01 1600 0.596E-01 0.431E-01 DAV: 3 -0.134128128507E+04 0.10645E-02 -0.60065E-03 1824 0.106E-01 0.259E-01 DAV: 4 -0.134128087872E+04 0.40635E-03 -0.41629E-03 1664 0.926E-02 0.986E-02 DAV: 5 -0.134128082562E+04 0.53102E-04 -0.76462E-04 1760 0.434E-02 0.578E-02 DAV: 6 -0.134128084062E+04 -0.15006E-04 -0.25590E-04 1632 0.214E-02 0.241E-02 DAV: 7 -0.134128083821E+04 0.24163E-05 -0.28331E-05 1568 0.891E-03 25 F= -.13595665E+04 E0= -.13595665E+04 d E =-.537343E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134128133926E+04 -0.49863E-03 -0.55009E-01 1472 0.955E-01 0.159E-01 DAV: 2 -0.134128247203E+04 -0.11328E-02 -0.12335E-02 1600 0.134E-01 0.780E-02 DAV: 3 -0.134128242408E+04 0.47956E-04 -0.28441E-04 1824 0.227E-02 0.497E-02 DAV: 4 -0.134128240986E+04 0.14222E-04 -0.25478E-04 1696 0.239E-02 0.214E-02 DAV: 5 -0.134128240981E+04 0.50029E-07 -0.44450E-05 1632 0.101E-02 26 F= -.13595680E+04 E0= -.13595680E+04 d E =-.151864E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134127644298E+04 0.59669E-02 -0.49372E+00 1408 0.286E+00 0.475E-01 DAV: 2 -0.134128658455E+04 -0.10142E-01 -0.11031E-01 1600 0.399E-01 0.235E-01 DAV: 3 -0.134128613960E+04 0.44495E-03 -0.25558E-03 1792 0.681E-02 0.149E-01 DAV: 4 -0.134128595558E+04 0.18402E-03 -0.23346E-03 1696 0.719E-02 0.645E-02 DAV: 5 -0.134128593756E+04 0.18018E-04 -0.41938E-04 1696 0.300E-02 0.421E-02 DAV: 6 -0.134128593363E+04 0.39329E-05 -0.17057E-04 1632 0.165E-02 0.163E-02 DAV: 7 -0.134128593494E+04 -0.13151E-05 -0.12285E-05 1184 0.560E-03 27 F= -.13595713E+04 E0= -.13595713E+04 d E =-.488984E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134124989498E+04 0.36039E-01 -0.19759E+01 1408 0.572E+00 0.947E-01 DAV: 2 -0.134129057005E+04 -0.40675E-01 -0.44080E-01 1600 0.798E-01 0.471E-01 DAV: 3 -0.134128874700E+04 0.18231E-02 -0.10220E-02 1760 0.135E-01 0.300E-01 DAV: 4 -0.134128790903E+04 0.83797E-03 -0.91703E-03 1696 0.143E-01 0.127E-01 DAV: 5 -0.134128783615E+04 0.72876E-04 -0.16691E-03 1696 0.595E-02 0.835E-02 DAV: 6 -0.134128781317E+04 0.22978E-04 -0.66488E-04 1632 0.323E-02 0.329E-02 DAV: 7 -0.134128781368E+04 -0.50777E-06 -0.59750E-05 1600 0.111E-02 28 F= -.13595729E+04 E0= -.13595729E+04 d E =-.648224E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134128682457E+04 0.98860E-03 -0.27589E+00 1408 0.214E+00 0.376E-01 DAV: 2 -0.134129255348E+04 -0.57289E-02 -0.62855E-02 1568 0.304E-01 0.208E-01 DAV: 3 -0.134129225841E+04 0.29507E-03 -0.14621E-03 1856 0.535E-02 0.133E-01 DAV: 4 -0.134129215051E+04 0.10790E-03 -0.12161E-03 1632 0.516E-02 0.506E-02 DAV: 5 -0.134129214228E+04 0.82294E-05 -0.23989E-04 1792 0.236E-02 0.258E-02 DAV: 6 -0.134129214834E+04 -0.60586E-05 -0.60623E-05 1536 0.100E-02 29 F= -.13595771E+04 E0= -.13595771E+04 d E =-.414227E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134128865747E+04 0.34848E-02 -0.33072E+00 1408 0.235E+00 0.414E-01 DAV: 2 -0.134129549421E+04 -0.68367E-02 -0.75251E-02 1568 0.332E-01 0.227E-01 DAV: 3 -0.134129514467E+04 0.34954E-03 -0.17490E-03 1792 0.584E-02 0.144E-01 DAV: 4 -0.134129501091E+04 0.13376E-03 -0.14055E-03 1600 0.559E-02 0.546E-02 DAV: 5 -0.134129500117E+04 0.97314E-05 -0.27194E-04 1728 0.254E-02 0.286E-02 DAV: 6 -0.134129500594E+04 -0.47625E-05 -0.80625E-05 1600 0.115E-02 30 F= -.13595797E+04 E0= -.13595797E+04 d E =-.679196E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134126955945E+04 0.25442E-01 -0.13220E+01 1408 0.469E+00 0.827E-01 DAV: 2 -0.134129688531E+04 -0.27326E-01 -0.30041E-01 1600 0.664E-01 0.454E-01 DAV: 3 -0.134129546507E+04 0.14202E-02 -0.70068E-03 1760 0.117E-01 0.288E-01 DAV: 4 -0.134129487976E+04 0.58531E-03 -0.55713E-03 1632 0.111E-01 0.108E-01 DAV: 5 -0.134129483297E+04 0.46791E-04 -0.10784E-03 1696 0.503E-02 0.570E-02 DAV: 6 -0.134129484453E+04 -0.11555E-04 -0.34141E-04 1600 0.233E-02 0.261E-02 DAV: 7 -0.134129484228E+04 0.22523E-05 -0.27374E-05 1440 0.883E-03 31 F= -.13595792E+04 E0= -.13595792E+04 d E =-.622015E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134128613550E+04 0.87090E-02 -0.51017E+00 1408 0.291E+00 0.506E-01 DAV: 2 -0.134129660762E+04 -0.10472E-01 -0.11555E-01 1600 0.412E-01 0.284E-01 DAV: 3 -0.134129608501E+04 0.52261E-03 -0.27224E-03 1792 0.725E-02 0.182E-01 DAV: 4 -0.134129588631E+04 0.19870E-03 -0.21688E-03 1632 0.689E-02 0.702E-02 DAV: 5 -0.134129587276E+04 0.13542E-04 -0.41870E-04 1792 0.314E-02 0.354E-02 DAV: 6 -0.134129588214E+04 -0.93749E-05 -0.11433E-04 1600 0.136E-02 0.167E-02 DAV: 7 -0.134129588086E+04 0.12754E-05 -0.77321E-06 1184 0.514E-03 32 F= -.13595805E+04 E0= -.13595805E+04 d E =-.751138E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134129764745E+04 -0.17653E-02 -0.13081E+00 1408 0.147E+00 0.349E-01 DAV: 2 -0.134130034219E+04 -0.26947E-02 -0.30774E-02 1600 0.211E-01 0.149E-01 DAV: 3 -0.134130018303E+04 0.15916E-03 -0.83777E-04 1760 0.405E-02 0.835E-02 DAV: 4 -0.134130013855E+04 0.44473E-04 -0.53902E-04 1664 0.328E-02 0.340E-02 DAV: 5 -0.134130013144E+04 0.71110E-05 -0.92790E-05 1728 0.152E-02 33 F= -.13595845E+04 E0= -.13595845E+04 d E =-.401247E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134129657076E+04 0.35678E-02 -0.33254E+00 1408 0.234E+00 0.560E-01 DAV: 2 -0.134130348833E+04 -0.69176E-02 -0.78544E-02 1568 0.338E-01 0.236E-01 DAV: 3 -0.134130307761E+04 0.41072E-03 -0.21125E-03 1824 0.647E-02 0.133E-01 DAV: 4 -0.134130296111E+04 0.11650E-03 -0.13882E-03 1632 0.526E-02 0.546E-02 DAV: 5 -0.134130294173E+04 0.19377E-04 -0.24655E-04 1824 0.247E-02 0.294E-02 DAV: 6 -0.134130294527E+04 -0.35303E-05 -0.70907E-05 1536 0.113E-02 34 F= -.13595869E+04 E0= -.13595869E+04 d E =-.644598E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130345705E+04 -0.51531E-03 -0.13107E+00 1472 0.147E+00 0.359E-01 DAV: 2 -0.134130612827E+04 -0.26712E-02 -0.30036E-02 1568 0.208E-01 0.142E-01 DAV: 3 -0.134130597145E+04 0.15683E-03 -0.80766E-04 1792 0.393E-02 0.839E-02 DAV: 4 -0.134130592613E+04 0.45312E-04 -0.60909E-04 1696 0.356E-02 0.348E-02 DAV: 5 -0.134130592183E+04 0.43006E-05 -0.10025E-04 1600 0.154E-02 0.216E-02 DAV: 6 -0.134130592338E+04 -0.15492E-05 -0.48907E-05 1504 0.883E-03 35 F= -.13595904E+04 E0= -.13595904E+04 d E =-.348011E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130520729E+04 0.71454E-03 -0.10428E+00 1408 0.131E+00 0.322E-01 DAV: 2 -0.134130732387E+04 -0.21166E-02 -0.23891E-02 1600 0.186E-01 0.127E-01 DAV: 3 -0.134130719419E+04 0.12968E-03 -0.64672E-04 1760 0.352E-02 0.751E-02 DAV: 4 -0.134130715359E+04 0.40602E-04 -0.47992E-04 1664 0.317E-02 0.310E-02 DAV: 5 -0.134130715007E+04 0.35157E-05 -0.78902E-05 1632 0.137E-02 36 F= -.13595921E+04 E0= -.13595921E+04 d E =-.515462E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134129775627E+04 0.93973E-02 -0.41635E+00 1408 0.262E+00 0.643E-01 DAV: 2 -0.134130625490E+04 -0.84986E-02 -0.95865E-02 1568 0.371E-01 0.256E-01 DAV: 3 -0.134130571570E+04 0.53921E-03 -0.25894E-03 1696 0.712E-02 0.151E-01 DAV: 4 -0.134130553669E+04 0.17900E-03 -0.20048E-03 1632 0.645E-02 0.634E-02 DAV: 5 -0.134130551594E+04 0.20757E-04 -0.33665E-04 1728 0.281E-02 0.394E-02 DAV: 6 -0.134130551407E+04 0.18641E-05 -0.15351E-04 1600 0.154E-02 0.174E-02 DAV: 7 -0.134130551552E+04 -0.14451E-05 -0.87133E-06 1216 0.627E-03 37 F= -.13595913E+04 E0= -.13595913E+04 d E =-.441553E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130410660E+04 0.14075E-02 -0.16497E+00 1408 0.165E+00 0.401E-01 DAV: 2 -0.134130744951E+04 -0.33429E-02 -0.37670E-02 1600 0.233E-01 0.162E-01 DAV: 3 -0.134130725344E+04 0.19607E-03 -0.10291E-03 1792 0.444E-02 0.945E-02 DAV: 4 -0.134130720110E+04 0.52344E-04 -0.77817E-04 1664 0.399E-02 0.393E-02 DAV: 5 -0.134130719553E+04 0.55687E-05 -0.12596E-04 1664 0.172E-02 0.241E-02 DAV: 6 -0.134130719652E+04 -0.98969E-06 -0.61002E-05 1504 0.965E-03 38 F= -.13595924E+04 E0= -.13595924E+04 d E =-.553283E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130745668E+04 -0.26115E-03 -0.73392E-01 1568 0.110E+00 0.246E-01 DAV: 2 -0.134130893440E+04 -0.14777E-02 -0.16767E-02 1600 0.158E-01 0.120E-01 DAV: 3 -0.134130882676E+04 0.10764E-03 -0.44001E-04 1792 0.301E-02 0.674E-02 DAV: 4 -0.134130879592E+04 0.30840E-04 -0.27452E-04 1632 0.244E-02 0.255E-02 DAV: 5 -0.134130879438E+04 0.15471E-05 -0.54909E-05 1696 0.114E-02 39 F= -.13595946E+04 E0= -.13595946E+04 d E =-.217849E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130755459E+04 0.12413E-02 -0.76265E-01 1408 0.113E+00 0.256E-01 DAV: 2 -0.134130910717E+04 -0.15526E-02 -0.17532E-02 1600 0.161E-01 0.122E-01 DAV: 3 -0.134130899989E+04 0.10728E-03 -0.45145E-04 1792 0.307E-02 0.681E-02 DAV: 4 -0.134130897109E+04 0.28804E-04 -0.27820E-04 1600 0.248E-02 0.260E-02 DAV: 5 -0.134130896990E+04 0.11847E-05 -0.56817E-05 1664 0.118E-02 40 F= -.13595954E+04 E0= -.13595954E+04 d E =-.294629E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130917768E+04 -0.20659E-03 -0.73634E-01 1408 0.111E+00 0.258E-01 DAV: 2 -0.134131069618E+04 -0.15185E-02 -0.16980E-02 1632 0.159E-01 0.105E-01 DAV: 3 -0.134131062007E+04 0.76111E-04 -0.43634E-04 1792 0.291E-02 0.604E-02 DAV: 4 -0.134131060302E+04 0.17051E-04 -0.26564E-04 1568 0.236E-02 0.247E-02 DAV: 5 -0.134131060285E+04 0.16720E-06 -0.46056E-05 1632 0.109E-02 41 F= -.13595977E+04 E0= -.13595977E+04 d E =-.234328E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130655509E+04 0.40479E-02 -0.22878E+00 1408 0.196E+00 0.455E-01 DAV: 2 -0.134131128136E+04 -0.47263E-02 -0.52694E-02 1600 0.279E-01 0.185E-01 DAV: 3 -0.134131103300E+04 0.24836E-03 -0.13533E-03 1792 0.511E-02 0.107E-01 DAV: 4 -0.134131096440E+04 0.68601E-04 -0.84063E-04 1664 0.420E-02 0.434E-02 DAV: 5 -0.134131095916E+04 0.52349E-05 -0.15306E-04 1760 0.192E-02 0.236E-02 DAV: 6 -0.134131096559E+04 -0.64210E-05 -0.41952E-05 1536 0.853E-03 42 F= -.13595993E+04 E0= -.13595993E+04 d E =-.396230E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131126376E+04 -0.30460E-03 -0.43984E-01 1408 0.861E-01 0.191E-01 DAV: 2 -0.134131215821E+04 -0.89445E-03 -0.99943E-03 1568 0.122E-01 0.770E-02 DAV: 3 -0.134131211512E+04 0.43085E-04 -0.26543E-04 1824 0.225E-02 0.470E-02 DAV: 4 -0.134131210450E+04 0.10621E-04 -0.19324E-04 1568 0.209E-02 0.197E-02 DAV: 5 -0.134131210514E+04 -0.64126E-06 -0.31863E-05 1536 0.904E-03 43 F= -.13596011E+04 E0= -.13596011E+04 d E =-.180506E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130527811E+04 0.68264E-02 -0.39444E+00 1408 0.258E+00 0.565E-01 DAV: 2 -0.134131329569E+04 -0.80176E-02 -0.89754E-02 1568 0.367E-01 0.234E-01 DAV: 3 -0.134131286728E+04 0.42841E-03 -0.24312E-03 1856 0.682E-02 0.143E-01 DAV: 4 -0.134131271031E+04 0.15697E-03 -0.18517E-03 1632 0.640E-02 0.606E-02 DAV: 5 -0.134131269488E+04 0.15435E-04 -0.32744E-04 1728 0.276E-02 0.353E-02 DAV: 6 -0.134131269328E+04 0.15998E-05 -0.13132E-04 1568 0.145E-02 0.156E-02 DAV: 7 -0.134131269555E+04 -0.22774E-05 -0.57829E-06 1152 0.491E-03 44 F= -.13596037E+04 E0= -.13596037E+04 d E =-.439678E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131336754E+04 -0.67427E-03 -0.31529E-01 1472 0.733E-01 0.203E-01 DAV: 2 -0.134131404666E+04 -0.67912E-03 -0.75578E-03 1600 0.107E-01 0.791E-02 DAV: 3 -0.134131400402E+04 0.42636E-04 -0.19696E-04 1792 0.205E-02 0.429E-02 DAV: 4 -0.134131399631E+04 0.77160E-05 -0.11183E-04 1600 0.161E-02 0.157E-02 DAV: 5 -0.134131399815E+04 -0.18375E-05 -0.18131E-05 1376 0.740E-03 45 F= -.13596054E+04 E0= -.13596054E+04 d E =-.162313E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131191729E+04 0.20790E-02 -0.13478E+00 1408 0.152E+00 0.422E-01 DAV: 2 -0.134131481080E+04 -0.28935E-02 -0.32374E-02 1600 0.221E-01 0.166E-01 DAV: 3 -0.134131461391E+04 0.19689E-03 -0.85429E-04 1824 0.427E-02 0.894E-02 DAV: 4 -0.134131455967E+04 0.54239E-04 -0.50134E-04 1632 0.335E-02 0.330E-02 DAV: 5 -0.134131455629E+04 0.33800E-05 -0.93728E-05 1632 0.155E-02 46 F= -.13596066E+04 E0= -.13596066E+04 d E =-.284513E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131496257E+04 -0.40290E-03 -0.20556E-01 1472 0.592E-01 0.918E-02 DAV: 2 -0.134131537644E+04 -0.41387E-03 -0.45346E-03 1536 0.827E-02 0.514E-02 DAV: 3 -0.134131536129E+04 0.15145E-04 -0.10626E-04 1824 0.144E-02 0.332E-02 DAV: 4 -0.134131536012E+04 0.11774E-05 -0.87151E-05 1536 0.145E-02 47 F= -.13596077E+04 E0= -.13596077E+04 d E =-.112358E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131346651E+04 0.18948E-02 -0.18599E+00 1408 0.178E+00 0.271E-01 DAV: 2 -0.134131715487E+04 -0.36884E-02 -0.40960E-02 1568 0.249E-01 0.157E-01 DAV: 3 -0.134131699592E+04 0.15896E-03 -0.10311E-03 1824 0.434E-02 0.102E-01 DAV: 4 -0.134131691460E+04 0.81316E-04 -0.78955E-04 1600 0.428E-02 0.407E-02 DAV: 5 -0.134131691416E+04 0.43653E-06 -0.14549E-04 1696 0.184E-02 0.242E-02 DAV: 6 -0.134131691715E+04 -0.29867E-05 -0.56308E-05 1504 0.982E-03 48 F= -.13596102E+04 E0= -.13596102E+04 d E =-.364095E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134130239440E+04 0.14520E-01 -0.74380E+00 1408 0.356E+00 0.538E-01 DAV: 2 -0.134131725670E+04 -0.14862E-01 -0.16359E-01 1600 0.498E-01 0.310E-01 DAV: 3 -0.134131661458E+04 0.64212E-03 -0.40555E-03 1824 0.854E-02 0.202E-01 DAV: 4 -0.134131624859E+04 0.36599E-03 -0.30578E-03 1600 0.843E-02 0.790E-02 DAV: 5 -0.134131623593E+04 0.12661E-04 -0.57789E-04 1696 0.363E-02 0.474E-02 DAV: 6 -0.134131623835E+04 -0.24216E-05 -0.22471E-04 1536 0.192E-02 0.219E-02 DAV: 7 -0.134131624172E+04 -0.33674E-05 -0.18863E-05 1312 0.711E-03 49 F= -.13596115E+04 E0= -.13596115E+04 d E =-.489082E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131568395E+04 0.55441E-03 -0.97213E-01 1408 0.129E+00 0.268E-01 DAV: 2 -0.134131772234E+04 -0.20384E-02 -0.22188E-02 1600 0.183E-01 0.115E-01 DAV: 3 -0.134131762924E+04 0.93104E-04 -0.55139E-04 1856 0.326E-02 0.688E-02 DAV: 4 -0.134131760590E+04 0.23337E-04 -0.32851E-04 1568 0.273E-02 0.266E-02 DAV: 5 -0.134131761026E+04 -0.43590E-05 -0.58245E-05 1664 0.121E-02 50 F= -.13596136E+04 E0= -.13596136E+04 d E =-.211800E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131348969E+04 0.41162E-02 -0.20754E+00 1408 0.188E+00 0.394E-01 DAV: 2 -0.134131782324E+04 -0.43336E-02 -0.47361E-02 1568 0.267E-01 0.168E-01 DAV: 3 -0.134131762107E+04 0.20217E-03 -0.11815E-03 1856 0.478E-02 0.100E-01 DAV: 4 -0.134131755740E+04 0.63676E-04 -0.70798E-04 1600 0.399E-02 0.394E-02 DAV: 5 -0.134131755799E+04 -0.59771E-06 -0.12773E-04 1696 0.178E-02 0.221E-02 DAV: 6 -0.134131756339E+04 -0.53982E-05 -0.39386E-05 1536 0.842E-03 51 F= -.13596146E+04 E0= -.13596146E+04 d E =-.316923E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131840649E+04 -0.84850E-03 -0.16397E-01 1472 0.531E-01 0.167E-01 DAV: 2 -0.134131873463E+04 -0.32814E-03 -0.41836E-03 1632 0.813E-02 0.760E-02 DAV: 3 -0.134131871003E+04 0.24609E-04 -0.15189E-04 1760 0.171E-02 0.418E-02 DAV: 4 -0.134131870566E+04 0.43678E-05 -0.70291E-05 1600 0.117E-02 52 F= -.13596161E+04 E0= -.13596161E+04 d E =-.149050E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131890393E+04 -0.19390E-03 -0.14083E-01 1472 0.491E-01 0.158E-01 DAV: 2 -0.134131917971E+04 -0.27578E-03 -0.36466E-03 1632 0.759E-02 0.740E-02 DAV: 3 -0.134131915482E+04 0.24885E-04 -0.13867E-04 1760 0.166E-02 0.401E-02 DAV: 4 -0.134131914967E+04 0.51540E-05 -0.67181E-05 1600 0.114E-02 53 F= -.13596169E+04 E0= -.13596169E+04 d E =-.225830E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131729732E+04 0.18575E-02 -0.56302E-01 1472 0.983E-01 0.312E-01 DAV: 2 -0.134131840612E+04 -0.11088E-02 -0.14424E-02 1632 0.151E-01 0.144E-01 DAV: 3 -0.134131830634E+04 0.99779E-04 -0.55015E-04 1760 0.326E-02 0.788E-02 DAV: 4 -0.134131827607E+04 0.30272E-04 -0.27014E-04 1600 0.225E-02 0.317E-02 DAV: 5 -0.134131827161E+04 0.44598E-05 -0.46906E-05 1664 0.121E-02 54 F= -.13596167E+04 E0= -.13596167E+04 d E =-.202960E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131871972E+04 -0.44365E-03 -0.21178E-01 1504 0.603E-01 0.186E-01 DAV: 2 -0.134131913668E+04 -0.41696E-03 -0.53217E-03 1632 0.920E-02 0.874E-02 DAV: 3 -0.134131910282E+04 0.33856E-04 -0.20341E-04 1760 0.195E-02 0.480E-02 DAV: 4 -0.134131909536E+04 0.74585E-05 -0.93401E-05 1568 0.133E-02 55 F= -.13596171E+04 E0= -.13596171E+04 d E =-.245507E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131937453E+04 -0.27170E-03 -0.29412E-01 1472 0.703E-01 0.292E-01 DAV: 2 -0.134131998723E+04 -0.61270E-03 -0.72723E-03 1632 0.104E-01 0.722E-02 DAV: 3 -0.134131993701E+04 0.50220E-04 -0.24571E-04 1760 0.206E-02 0.378E-02 DAV: 4 -0.134131992175E+04 0.15263E-04 -0.11698E-04 1664 0.154E-02 0.154E-02 DAV: 5 -0.134131992158E+04 0.16570E-06 -0.14609E-05 1312 0.631E-03 56 F= -.13596186E+04 E0= -.13596186E+04 d E =-.147144E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134131948436E+04 0.43739E-03 -0.16544E-01 1504 0.527E-01 0.222E-01 DAV: 2 -0.134131982902E+04 -0.34466E-03 -0.41458E-03 1632 0.782E-02 0.544E-02 DAV: 3 -0.134131979956E+04 0.29459E-04 -0.13372E-04 1760 0.158E-02 0.282E-02 DAV: 4 -0.134131979248E+04 0.70785E-05 -0.75723E-05 1632 0.122E-02 57 F= -.13596189E+04 E0= -.13596189E+04 d E =-.182738E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132028028E+04 -0.48072E-03 -0.18625E-01 1504 0.572E-01 0.195E-01 DAV: 2 -0.134132067356E+04 -0.39328E-03 -0.47549E-03 1632 0.879E-02 0.853E-02 DAV: 3 -0.134132063824E+04 0.35324E-04 -0.14991E-04 1824 0.183E-02 0.459E-02 DAV: 4 -0.134132063052E+04 0.77205E-05 -0.67701E-05 1600 0.127E-02 58 F= -.13596198E+04 E0= -.13596198E+04 d E =-.921900E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132066427E+04 -0.26034E-04 -0.14011E-02 1632 0.157E-01 0.572E-02 DAV: 2 -0.134132069343E+04 -0.29162E-04 -0.36868E-04 1664 0.244E-02 0.279E-02 DAV: 3 -0.134132069018E+04 0.32479E-05 -0.83015E-06 1120 0.551E-03 59 F= -.13596199E+04 E0= -.13596199E+04 d E =-.100464E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132049684E+04 0.19659E-03 -0.55026E-02 1568 0.311E-01 0.108E-01 DAV: 2 -0.134132060690E+04 -0.11006E-03 -0.13681E-03 1536 0.473E-02 0.490E-02 DAV: 3 -0.134132059581E+04 0.11094E-04 -0.43386E-05 1664 0.100E-02 0.259E-02 DAV: 4 -0.134132059213E+04 0.36740E-05 -0.15815E-05 1280 0.710E-03 60 F= -.13596199E+04 E0= -.13596199E+04 d E =-.952935E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132064223E+04 -0.46423E-04 -0.24103E-02 1632 0.206E-01 0.694E-02 DAV: 2 -0.134132069383E+04 -0.51601E-04 -0.59992E-04 1632 0.313E-02 0.291E-02 DAV: 3 -0.134132068975E+04 0.40787E-05 -0.14331E-05 1280 0.629E-03 61 F= -.13596199E+04 E0= -.13596199E+04 d E =-.101996E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132058733E+04 0.10650E-03 -0.14247E-01 1536 0.496E-01 0.125E-01 DAV: 2 -0.134132087589E+04 -0.28855E-03 -0.33935E-03 1632 0.741E-02 0.598E-02 DAV: 3 -0.134132085372E+04 0.22167E-04 -0.87580E-05 1792 0.134E-02 0.345E-02 DAV: 4 -0.134132084710E+04 0.66190E-05 -0.48540E-05 1600 0.103E-02 62 F= -.13596206E+04 E0= -.13596206E+04 d E =-.655873E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132058411E+04 0.26961E-03 -0.56328E-02 1600 0.312E-01 0.820E-02 DAV: 2 -0.134132069423E+04 -0.11012E-03 -0.13423E-03 1600 0.467E-02 0.403E-02 DAV: 3 -0.134132068555E+04 0.86796E-05 -0.34699E-05 1600 0.885E-03 63 F= -.13596208E+04 E0= -.13596208E+04 d E =-.808226E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.134132004406E+04 0.65018E-03 -0.15896E-01 1472 0.521E-01 0.158E-01 DAV: 2 -0.134132035246E+04 -0.30840E-03 -0.37402E-03 1536 0.780E-02 0.606E-02 DAV: 3 -0.134132033035E+04 0.22103E-04 -0.12215E-04 1792 0.152E-02 0.338E-02 DAV: 4 -0.134132032494E+04 0.54097E-05 -0.56976E-05 1568 0.112E-02 64 F= -.13596215E+04 E0= -.13596215E+04 d E =-.703759E-03