N E dE d eps ncg rms rms(c) DAV: 1 0.360068490917E+04 0.36007E+04 -0.25016E+05 4416 0.119E+03 DAV: 2 -0.449406064665E+03 -0.40501E+04 -0.39711E+04 5184 0.325E+02 DAV: 3 -0.744192641197E+03 -0.29479E+03 -0.29362E+03 5568 0.954E+01 DAV: 4 -0.750243669903E+03 -0.60510E+01 -0.60376E+01 6016 0.131E+01 DAV: 5 -0.750565798649E+03 -0.32213E+00 -0.32204E+00 6624 0.201E+00 0.133E+02 DAV: 6 -0.674376517319E+03 0.76189E+02 -0.30882E+02 5088 0.280E+01 0.758E+01 DAV: 7 -0.674489180496E+03 -0.11266E+00 -0.21814E+01 5344 0.755E+00 0.125E+01 DAV: 8 -0.674324528296E+03 0.16465E+00 -0.13826E+00 5568 0.226E+00 0.391E+00 DAV: 9 -0.674326808855E+03 -0.22806E-02 -0.24249E-01 5248 0.108E+00 0.108E+00 DAV: 10 -0.674333308047E+03 -0.64992E-02 -0.56762E-02 5920 0.558E-01 0.537E-01 DAV: 11 -0.674335251359E+03 -0.19433E-02 -0.11705E-02 4992 0.249E-01 0.250E-01 DAV: 12 -0.674335170803E+03 0.80556E-04 -0.39965E-03 4800 0.153E-01 1 F= -.67433517E+03 E0= -.67433517E+03 d E =-.674335E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.672721360620E+03 0.16139E+01 -0.42845E+02 4288 0.394E+01 0.128E+01 DAV: 2 -0.673168604825E+03 -0.44724E+00 -0.15262E+01 5312 0.693E+00 0.853E+00 DAV: 3 -0.672938419590E+03 0.23019E+00 -0.60605E-01 5312 0.164E+00 0.573E+00 DAV: 4 -0.672835049372E+03 0.10337E+00 -0.39418E-01 5184 0.135E+00 0.149E+00 DAV: 5 -0.672833074342E+03 0.19750E-02 -0.10411E-01 5440 0.697E-01 0.850E-01 DAV: 6 -0.672832568556E+03 0.50579E-03 -0.17174E-02 5152 0.246E-01 0.363E-01 DAV: 7 -0.672831502849E+03 0.10657E-02 -0.31842E-03 4864 0.135E-01 0.153E-01 DAV: 8 -0.672831418054E+03 0.84795E-04 -0.86937E-04 3584 0.570E-02 2 F= -.67283142E+03 E0= -.67283142E+03 d E =0.150375E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.674922242685E+03 -0.20907E+01 -0.17582E+02 4224 0.252E+01 0.969E+00 DAV: 2 -0.675051398133E+03 -0.12916E+00 -0.54584E+00 5376 0.429E+00 0.426E+00 DAV: 3 -0.674939056869E+03 0.11234E+00 -0.43045E-01 5280 0.143E+00 0.156E+00 DAV: 4 -0.674928742249E+03 0.10315E-01 -0.10024E-01 5280 0.601E-01 0.550E-01 DAV: 5 -0.674927555286E+03 0.11870E-02 -0.91010E-03 5408 0.223E-01 0.323E-01 DAV: 6 -0.674927013582E+03 0.54170E-03 -0.27325E-03 4992 0.118E-01 3 F= -.67492701E+03 E0= -.67492701E+03 d E =-.591843E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675619850112E+03 -0.69229E+00 -0.15445E+02 4224 0.237E+01 0.789E+00 DAV: 2 -0.675482091881E+03 0.13776E+00 -0.52892E+00 5184 0.399E+00 0.444E+00 DAV: 3 -0.675399570717E+03 0.82521E-01 -0.16255E-01 5312 0.887E-01 0.266E+00 DAV: 4 -0.675380488953E+03 0.19082E-01 -0.14968E-01 5600 0.767E-01 0.755E-01 DAV: 5 -0.675380894566E+03 -0.40561E-03 -0.19267E-02 5248 0.280E-01 0.583E-01 DAV: 6 -0.675380839158E+03 0.55407E-04 -0.36300E-03 4992 0.108E-01 4 F= -.67538084E+03 E0= -.67538084E+03 d E =-.453826E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675433207202E+03 -0.52313E-01 -0.76685E+00 4352 0.527E+00 0.176E+00 DAV: 2 -0.675424601705E+03 0.86055E-02 -0.22228E-01 5216 0.838E-01 0.886E-01 DAV: 3 -0.675420083455E+03 0.45182E-02 -0.10322E-02 5312 0.217E-01 0.406E-01 DAV: 4 -0.675419561452E+03 0.52200E-03 -0.47170E-03 5408 0.129E-01 5 F= -.67541956E+03 E0= -.67541956E+03 d E =-.492548E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675735114099E+03 -0.31503E+00 -0.12309E+02 4224 0.210E+01 0.852E+00 DAV: 2 -0.675567055534E+03 0.16806E+00 -0.38132E+00 5216 0.352E+00 0.310E+00 DAV: 3 -0.675505132159E+03 0.61923E-01 -0.23902E-01 5152 0.974E-01 0.158E+00 DAV: 4 -0.675495617309E+03 0.95149E-02 -0.56888E-02 5408 0.485E-01 0.506E-01 DAV: 5 -0.675495523128E+03 0.94181E-04 -0.74348E-03 5440 0.206E-01 6 F= -.67549552E+03 E0= -.67549552E+03 d E =-.759617E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675700213923E+03 -0.20460E+00 -0.24866E+01 4224 0.946E+00 0.349E+00 DAV: 2 -0.675667631310E+03 0.32583E-01 -0.69823E-01 5280 0.152E+00 0.157E+00 DAV: 3 -0.675654470728E+03 0.13161E-01 -0.52905E-02 5120 0.443E-01 0.930E-01 DAV: 4 -0.675652254228E+03 0.22165E-02 -0.12218E-02 5408 0.224E-01 0.305E-01 DAV: 5 -0.675652104716E+03 0.14951E-03 -0.17235E-03 4320 0.968E-02 7 F= -.67565210E+03 E0= -.67565210E+03 d E =-.232543E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675760454092E+03 -0.10820E+00 -0.28264E+01 4224 0.102E+01 0.460E+00 DAV: 2 -0.675794341494E+03 -0.33887E-01 -0.83454E-01 5376 0.168E+00 0.197E+00 DAV: 3 -0.675781832800E+03 0.12509E-01 -0.49604E-02 5184 0.478E-01 0.902E-01 DAV: 4 -0.675780741581E+03 0.10912E-02 -0.12334E-02 5568 0.225E-01 0.281E-01 DAV: 5 -0.675780579649E+03 0.16193E-03 -0.17594E-03 3808 0.111E-01 8 F= -.67578058E+03 E0= -.67578058E+03 d E =-.128475E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675781282271E+03 -0.54069E-03 -0.12487E-01 4608 0.675E-01 0.327E-01 DAV: 2 -0.675781411611E+03 -0.12934E-03 -0.38695E-03 5024 0.117E-01 9 F= -.67578141E+03 E0= -.67578141E+03 d E =-.129307E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675885045876E+03 -0.10376E+00 -0.83486E+00 4224 0.537E+00 0.938E-01 DAV: 2 -0.675900532350E+03 -0.15486E-01 -0.19638E-01 5184 0.769E-01 0.422E-01 DAV: 3 -0.675898844033E+03 0.16883E-02 -0.42576E-03 5120 0.151E-01 0.252E-01 DAV: 4 -0.675898590741E+03 0.25329E-03 -0.40268E-03 4768 0.134E-01 10 F= -.67589859E+03 E0= -.67589859E+03 d E =-.117179E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676000391978E+03 -0.10155E+00 -0.75214E+01 4224 0.161E+01 0.290E+00 DAV: 2 -0.676139387555E+03 -0.13900E+00 -0.17779E+00 5184 0.231E+00 0.126E+00 DAV: 3 -0.676123940599E+03 0.15447E-01 -0.39287E-02 5184 0.457E-01 0.773E-01 DAV: 4 -0.676121760652E+03 0.21799E-02 -0.38452E-02 5184 0.415E-01 0.295E-01 DAV: 5 -0.676121276906E+03 0.48375E-03 -0.65203E-03 5152 0.197E-01 11 F= -.67612128E+03 E0= -.67612128E+03 d E =-.339865E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675459951831E+03 0.66181E+00 -0.30066E+02 4224 0.322E+01 0.602E+00 DAV: 2 -0.676037301396E+03 -0.57735E+00 -0.72894E+00 5184 0.466E+00 0.252E+00 DAV: 3 -0.675975365078E+03 0.61936E-01 -0.15719E-01 5216 0.914E-01 0.161E+00 DAV: 4 -0.675965062167E+03 0.10303E-01 -0.14388E-01 5184 0.805E-01 0.621E-01 DAV: 5 -0.675963632101E+03 0.14301E-02 -0.26823E-02 5312 0.403E-01 0.274E-01 DAV: 6 -0.675963934126E+03 -0.30203E-03 -0.53784E-03 5280 0.139E-01 12 F= -.67596393E+03 E0= -.67596393E+03 d E =-.182523E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675924829379E+03 0.38803E-01 -0.14262E+02 4224 0.221E+01 0.382E+00 DAV: 2 -0.676194895511E+03 -0.27007E+00 -0.34265E+00 5184 0.320E+00 0.171E+00 DAV: 3 -0.676164924645E+03 0.29971E-01 -0.76181E-02 5248 0.630E-01 0.103E+00 DAV: 4 -0.676160189724E+03 0.47349E-02 -0.63182E-02 5184 0.532E-01 0.409E-01 DAV: 5 -0.676159786229E+03 0.40349E-03 -0.99810E-03 5376 0.250E-01 13 F= -.67615979E+03 E0= -.67615979E+03 d E =-.378375E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676251479543E+03 -0.91290E-01 -0.12136E+01 4224 0.646E+00 0.164E+00 DAV: 2 -0.676274698962E+03 -0.23219E-01 -0.31862E-01 5152 0.100E+00 0.962E-01 DAV: 3 -0.676271673610E+03 0.30254E-02 -0.85726E-03 5280 0.200E-01 0.565E-01 DAV: 4 -0.676270848789E+03 0.82482E-03 -0.56327E-03 5184 0.157E-01 14 F= -.67627085E+03 E0= -.67627085E+03 d E =-.111063E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676292561418E+03 -0.20888E-01 -0.19435E+01 4224 0.816E+00 0.206E+00 DAV: 2 -0.676331122882E+03 -0.38561E-01 -0.51871E-01 5216 0.127E+00 0.119E+00 DAV: 3 -0.676326562628E+03 0.45603E-02 -0.13267E-02 5280 0.253E-01 0.686E-01 DAV: 4 -0.676325440520E+03 0.11221E-02 -0.85334E-03 5184 0.192E-01 0.212E-01 DAV: 5 -0.676325303051E+03 0.13747E-03 -0.13298E-03 3744 0.106E-01 15 F= -.67632530E+03 E0= -.67632530E+03 d E =-.165517E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676358570868E+03 -0.33130E-01 -0.14033E+00 4608 0.222E+00 0.532E-01 DAV: 2 -0.676359667574E+03 -0.10967E-02 -0.37592E-02 5376 0.359E-01 0.253E-01 DAV: 3 -0.676359135529E+03 0.53204E-03 -0.17215E-03 3744 0.933E-02 16 F= -.67635914E+03 E0= -.67635914E+03 d E =-.338325E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676386868415E+03 -0.27201E-01 -0.78620E+00 4224 0.524E+00 0.128E+00 DAV: 2 -0.676391619276E+03 -0.47509E-02 -0.20503E-01 5376 0.842E-01 0.633E-01 DAV: 3 -0.676388384163E+03 0.32351E-02 -0.10816E-02 5248 0.230E-01 0.308E-01 DAV: 4 -0.676387656416E+03 0.72775E-03 -0.26412E-03 4608 0.113E-01 17 F= -.67638766E+03 E0= -.67638766E+03 d E =-.623534E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676411663766E+03 -0.23280E-01 -0.90553E-01 4608 0.182E+00 0.539E-01 DAV: 2 -0.676411443270E+03 0.22050E-03 -0.22979E-02 5312 0.281E-01 0.170E-01 DAV: 3 -0.676411048373E+03 0.39490E-03 -0.11938E-03 3264 0.764E-02 18 F= -.67641105E+03 E0= -.67641105E+03 d E =-.233920E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676459345397E+03 -0.47902E-01 -0.81527E+00 4224 0.546E+00 0.160E+00 DAV: 2 -0.676457333966E+03 0.20114E-02 -0.20450E-01 5376 0.831E-01 0.515E-01 DAV: 3 -0.676453657855E+03 0.36761E-02 -0.12214E-02 5184 0.231E-01 0.266E-01 DAV: 4 -0.676452967312E+03 0.69054E-03 -0.27487E-03 4704 0.117E-01 19 F= -.67645297E+03 E0= -.67645297E+03 d E =-.653109E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676459530286E+03 -0.58724E-02 -0.19871E+00 4544 0.269E+00 0.808E-01 DAV: 2 -0.676458995608E+03 0.53468E-03 -0.49570E-02 5312 0.412E-01 0.257E-01 DAV: 3 -0.676458125632E+03 0.86998E-03 -0.30068E-03 4704 0.116E-01 20 F= -.67645813E+03 E0= -.67645813E+03 d E =-.704692E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676481054788E+03 -0.22059E-01 -0.11064E+00 4544 0.195E+00 0.492E-01 DAV: 2 -0.676482958352E+03 -0.19036E-02 -0.28311E-02 5248 0.303E-01 0.248E-01 DAV: 3 -0.676482586023E+03 0.37233E-03 -0.10387E-03 3936 0.749E-02 21 F= -.67648259E+03 E0= -.67648259E+03 d E =-.244604E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676494356957E+03 -0.11399E-01 -0.36009E+00 4224 0.351E+00 0.879E-01 DAV: 2 -0.676500457194E+03 -0.61002E-02 -0.90420E-02 5312 0.546E-01 0.436E-01 DAV: 3 -0.676499307197E+03 0.11500E-02 -0.34724E-03 4992 0.132E-01 0.225E-01 DAV: 4 -0.676499014710E+03 0.29249E-03 -0.12791E-03 4032 0.824E-02 22 F= -.67649901E+03 E0= -.67649901E+03 d E =-.408891E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676519132320E+03 -0.19825E-01 -0.13871E+00 4384 0.223E+00 0.695E-01 DAV: 2 -0.676521733622E+03 -0.26013E-02 -0.34492E-02 5184 0.339E-01 0.203E-01 DAV: 3 -0.676521397293E+03 0.33633E-03 -0.10136E-03 3360 0.701E-02 23 F= -.67652140E+03 E0= -.67652140E+03 d E =-.223826E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676527368465E+03 -0.56348E-02 -0.12408E+01 4224 0.669E+00 0.208E+00 DAV: 2 -0.676549778413E+03 -0.22410E-01 -0.30145E-01 5184 0.100E+00 0.637E-01 DAV: 3 -0.676546687919E+03 0.30905E-02 -0.10651E-02 5280 0.214E-01 0.302E-01 DAV: 4 -0.676546178293E+03 0.50963E-03 -0.43618E-03 5184 0.139E-01 24 F= -.67654618E+03 E0= -.67654618E+03 d E =-.471636E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676562908417E+03 -0.16220E-01 -0.10493E+00 4544 0.193E+00 0.302E-01 DAV: 2 -0.676564596327E+03 -0.16879E-02 -0.23272E-02 5248 0.283E-01 0.152E-01 DAV: 3 -0.676564434396E+03 0.16193E-03 -0.54506E-04 3264 0.533E-02 25 F= -.67656443E+03 E0= -.67656443E+03 d E =-.182561E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676589279255E+03 -0.24683E-01 -0.93319E+00 4224 0.577E+00 0.854E-01 DAV: 2 -0.676603349548E+03 -0.14070E-01 -0.19436E-01 5280 0.817E-01 0.446E-01 DAV: 3 -0.676601907171E+03 0.14424E-02 -0.52040E-03 5280 0.148E-01 0.268E-01 DAV: 4 -0.676601488743E+03 0.41843E-03 -0.35465E-03 4608 0.130E-01 26 F= -.67660149E+03 E0= -.67660149E+03 d E =-.553105E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676544117747E+03 0.57789E-01 -0.37578E+01 4224 0.116E+01 0.170E+00 DAV: 2 -0.676602539372E+03 -0.58422E-01 -0.78966E-01 5216 0.164E+00 0.893E-01 DAV: 3 -0.676596501805E+03 0.60376E-02 -0.19956E-02 5440 0.294E-01 0.536E-01 DAV: 4 -0.676594711951E+03 0.17899E-02 -0.14846E-02 5184 0.263E-01 0.166E-01 DAV: 5 -0.676594647473E+03 0.64478E-04 -0.23384E-03 4704 0.121E-01 27 F= -.67659465E+03 E0= -.67659465E+03 d E =-.484692E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676594113060E+03 0.59889E-03 -0.13330E+01 4224 0.689E+00 0.995E-01 DAV: 2 -0.676614673258E+03 -0.20560E-01 -0.28484E-01 5216 0.985E-01 0.546E-01 DAV: 3 -0.676612437753E+03 0.22355E-02 -0.74881E-03 5216 0.179E-01 0.331E-01 DAV: 4 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DAV: 3 -0.676684312568E+03 0.62775E-03 -0.29782E-03 4736 0.112E-01 31 F= -.67668431E+03 E0= -.67668431E+03 d E =-.284775E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676690808630E+03 -0.58683E-02 -0.13798E+01 4224 0.712E+00 0.194E+00 DAV: 2 -0.676708419646E+03 -0.17611E-01 -0.30747E-01 5280 0.106E+00 0.652E-01 DAV: 3 -0.676705397783E+03 0.30219E-02 -0.15241E-02 5216 0.247E-01 0.356E-01 DAV: 4 -0.676704904891E+03 0.49289E-03 -0.51989E-03 5152 0.149E-01 32 F= -.67670490E+03 E0= -.67670490E+03 d E =-.490699E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676719309775E+03 -0.13912E-01 -0.43098E+00 4288 0.386E+00 0.938E-01 DAV: 2 -0.676726372845E+03 -0.70631E-02 -0.97568E-02 5312 0.567E-01 0.422E-01 DAV: 3 -0.676725309408E+03 0.10634E-02 -0.31208E-03 5024 0.127E-01 0.221E-01 DAV: 4 -0.676725203507E+03 0.10590E-03 -0.16659E-03 4160 0.902E-02 33 F= -.67672520E+03 E0= -.67672520E+03 d E =-.202986E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676725854653E+03 -0.54525E-03 -0.23431E-01 4608 0.898E-01 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-.67705542E+03 E0= -.67705542E+03 d E =-.157709E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677060988796E+03 -0.51885E-02 -0.17173E+00 4224 0.236E+00 0.576E-01 DAV: 2 -0.677064324315E+03 -0.33355E-02 -0.40600E-02 4992 0.355E-01 0.247E-01 DAV: 3 -0.677063931699E+03 0.39262E-03 -0.89613E-04 3776 0.731E-02 81 F= -.67706393E+03 E0= -.67706393E+03 d E =-.850693E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677064154308E+03 0.17001E-03 -0.15271E+00 4224 0.222E+00 0.556E-01 DAV: 2 -0.677066855861E+03 -0.27016E-02 -0.34703E-02 4992 0.330E-01 0.246E-01 DAV: 3 -0.677066527994E+03 0.32787E-03 -0.86866E-04 3808 0.733E-02 82 F= -.67706653E+03 E0= -.67706653E+03 d E =-.111032E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677071596798E+03 -0.47409E-02 -0.17656E+00 4288 0.239E+00 0.539E-01 DAV: 2 -0.677074576627E+03 -0.29798E-02 -0.38972E-02 4992 0.344E-01 0.212E-01 DAV: 3 -0.677074294877E+03 0.28175E-03 -0.85589E-04 3968 0.661E-02 83 F= -.67707429E+03 E0= -.67707429E+03 d E =-.776688E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677070879765E+03 0.36969E-02 -0.50542E+00 4224 0.404E+00 0.904E-01 DAV: 2 -0.677079394291E+03 -0.85145E-02 -0.11047E-01 4992 0.579E-01 0.360E-01 DAV: 3 -0.677078576492E+03 0.81780E-03 -0.25493E-03 5056 0.111E-01 84 F= -.67707858E+03 E0= -.67707858E+03 d E =-.120485E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677083074309E+03 -0.36800E-02 -0.11100E+00 4288 0.189E+00 0.365E-01 DAV: 2 -0.677084590333E+03 -0.15160E-02 -0.23260E-02 4992 0.269E-01 0.172E-01 DAV: 3 -0.677084448425E+03 0.14191E-03 -0.58823E-04 3552 0.576E-02 85 F= -.67708445E+03 E0= -.67708445E+03 d E =-.587193E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677077402448E+03 0.71879E-02 -0.10203E+01 4224 0.574E+00 0.106E+00 DAV: 2 -0.677093545382E+03 -0.16143E-01 -0.22621E-01 4992 0.832E-01 0.501E-01 DAV: 3 -0.677092029568E+03 0.15158E-02 -0.54451E-03 5568 0.165E-01 0.285E-01 DAV: 4 -0.677091767565E+03 0.26200E-03 -0.29274E-03 5088 0.112E-01 86 F= -.67709177E+03 E0= -.67709177E+03 d E =-.131911E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677096003752E+03 -0.39742E-02 -0.20802E+00 4288 0.263E+00 0.644E-01 DAV: 2 -0.677100393719E+03 -0.43900E-02 -0.53551E-02 4992 0.413E-01 0.278E-01 DAV: 3 -0.677100058034E+03 0.33569E-03 -0.15362E-03 4928 0.883E-02 87 F= -.67710006E+03 E0= -.67710006E+03 d E =-.829047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677099995245E+03 0.39847E-03 -0.61886E-01 4352 0.143E+00 0.373E-01 DAV: 2 -0.677101117817E+03 -0.11226E-02 -0.15025E-02 5056 0.223E-01 0.172E-01 DAV: 3 -0.677100995902E+03 0.12191E-03 -0.46625E-04 3552 0.512E-02 88 F= -.67710100E+03 E0= -.67710100E+03 d E =-.922834E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677106243496E+03 -0.51257E-02 -0.80304E-01 4288 0.166E+00 0.439E-01 DAV: 2 -0.677107310002E+03 -0.10665E-02 -0.20490E-02 5024 0.264E-01 0.162E-01 DAV: 3 -0.677107150822E+03 0.15918E-03 -0.66307E-04 3648 0.557E-02 89 F= -.67710715E+03 E0= -.67710715E+03 d E =-.615492E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677107788268E+03 -0.47827E-03 -0.21688E+00 4224 0.273E+00 0.716E-01 DAV: 2 -0.677110619085E+03 -0.28308E-02 -0.54876E-02 5024 0.432E-01 0.269E-01 DAV: 3 -0.677110190891E+03 0.42819E-03 -0.18571E-03 4288 0.910E-02 90 F= -.67711019E+03 E0= -.67711019E+03 d E =-.919499E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677114827306E+03 -0.42082E-02 -0.60205E-01 4416 0.143E+00 0.387E-01 DAV: 2 -0.677115180456E+03 -0.35315E-03 -0.15091E-02 5024 0.226E-01 0.142E-01 DAV: 3 -0.677115077761E+03 0.10270E-03 -0.64061E-04 3456 0.519E-02 91 F= -.67711508E+03 E0= -.67711508E+03 d E =-.488687E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677117850557E+03 -0.26701E-02 -0.35065E+00 4224 0.344E+00 0.909E-01 DAV: 2 -0.677120324255E+03 -0.24737E-02 -0.91614E-02 5024 0.550E-01 0.322E-01 DAV: 3 -0.677119566388E+03 0.75787E-03 -0.36108E-03 5536 0.118E-01 92 F= -.67711957E+03 E0= -.67711957E+03 d E =-.937550E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677123625210E+03 -0.33010E-02 -0.35082E-01 4416 0.109E+00 0.356E-01 DAV: 2 -0.677124010585E+03 -0.38537E-03 -0.10120E-02 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-0.10328E-03 3648 0.716E-02 96 F= -.67713187E+03 E0= -.67713187E+03 d E =-.663696E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677135116744E+03 -0.29932E-02 -0.59477E-01 4224 0.143E+00 0.395E-01 DAV: 2 -0.677136257150E+03 -0.11404E-02 -0.14152E-02 5248 0.213E-01 0.121E-01 DAV: 3 -0.677136155741E+03 0.10141E-03 -0.36824E-04 3168 0.443E-02 97 F= -.67713616E+03 E0= -.67713616E+03 d E =-.428413E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677136155724E+03 0.10143E-03 -0.94752E-01 4224 0.181E+00 0.489E-01 DAV: 2 -0.677137988449E+03 -0.18327E-02 -0.22622E-02 5216 0.269E-01 0.149E-01 DAV: 3 -0.677137811251E+03 0.17720E-03 -0.51894E-04 3264 0.536E-02 98 F= -.67713781E+03 E0= -.67713781E+03 d E =-.593964E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677141267634E+03 -0.32792E-02 -0.41613E-01 4224 0.119E+00 0.394E-01 DAV: 2 -0.677141936906E+03 -0.66927E-03 -0.12327E-02 5248 0.201E-01 0.173E-01 DAV: 3 -0.677141821879E+03 0.11503E-03 -0.34254E-04 2912 0.423E-02 99 F= -.67714182E+03 E0= -.67714182E+03 d E =-.401063E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677142379126E+03 -0.44222E-03 -0.65354E-01 4224 0.150E+00 0.495E-01 DAV: 2 -0.677143431912E+03 -0.10528E-02 -0.19411E-02 5344 0.253E-01 0.224E-01 DAV: 3 -0.677143232241E+03 0.19967E-03 -0.54599E-04 3232 0.535E-02 100 F= -.67714323E+03 E0= -.67714323E+03 d E =-.542099E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677146276329E+03 -0.28444E-02 -0.20178E-01 4416 0.834E-01 0.240E-01 DAV: 2 -0.677146438634E+03 -0.16230E-03 -0.53602E-03 5312 0.133E-01 101 F= -.67714644E+03 E0= -.67714644E+03 d E =-.320639E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677151354335E+03 -0.50780E-02 -0.18454E+00 4224 0.252E+00 0.716E-01 DAV: 2 -0.677152753493E+03 -0.13992E-02 -0.49565E-02 5152 0.406E-01 0.262E-01 DAV: 3 -0.677152226445E+03 0.52705E-03 -0.18453E-03 4064 0.943E-02 102 F= -.67715223E+03 E0= -.67715223E+03 d E =-.899420E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677142544723E+03 0.10209E-01 -0.73575E+00 4224 0.503E+00 0.140E+00 DAV: 2 -0.677148651647E+03 -0.61069E-02 -0.19717E-01 5152 0.809E-01 0.499E-01 DAV: 3 -0.677146823831E+03 0.18278E-02 -0.79759E-03 5504 0.187E-01 0.261E-01 DAV: 4 -0.677146570766E+03 0.25306E-03 -0.23308E-03 4224 0.104E-01 103 F= -.67714657E+03 E0= -.67714657E+03 d E =-.333853E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677150601332E+03 -0.37775E-02 -0.38765E+00 4224 0.365E+00 0.101E+00 DAV: 2 -0.677154103381E+03 -0.35020E-02 -0.10770E-01 5152 0.594E-01 0.351E-01 DAV: 3 -0.677153052372E+03 0.10510E-02 -0.38857E-03 5472 0.131E-01 0.187E-01 DAV: 4 -0.677152865239E+03 0.18713E-03 -0.11696E-03 3264 0.747E-02 104 F= -.67715287E+03 E0= -.67715287E+03 d E =-.963300E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677156870003E+03 -0.38176E-02 -0.67198E-01 4224 0.152E+00 0.375E-01 DAV: 2 -0.677158153502E+03 -0.12835E-02 -0.17457E-02 5216 0.243E-01 0.187E-01 DAV: 3 -0.677157987285E+03 0.16622E-03 -0.45708E-04 3264 0.519E-02 105 F= -.67715799E+03 E0= -.67715799E+03 d E =-.512205E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677158400835E+03 -0.24733E-03 -0.10284E+00 4224 0.188E+00 0.482E-01 DAV: 2 -0.677160137016E+03 -0.17362E-02 -0.25777E-02 5248 0.298E-01 0.239E-01 DAV: 3 -0.677159920320E+03 0.21670E-03 -0.78371E-04 3456 0.660E-02 106 F= -.67715992E+03 E0= -.67715992E+03 d E =-.705508E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677162888315E+03 -0.27513E-02 -0.31482E-01 4544 0.105E+00 0.361E-01 DAV: 2 -0.677163489772E+03 -0.60146E-03 -0.87297E-03 5344 0.171E-01 107 F= -.67716349E+03 E0= -.67716349E+03 d E =-.356945E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677164085094E+03 -0.11968E-02 -0.63286E-01 4288 0.148E+00 0.547E-01 DAV: 2 -0.677165198835E+03 -0.11137E-02 -0.17209E-02 5376 0.243E-01 0.268E-01 DAV: 3 -0.677164970161E+03 0.22867E-03 -0.65586E-04 3264 0.643E-02 108 F= -.67716497E+03 E0= -.67716497E+03 d E =-.504984E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677168368962E+03 -0.31701E-02 -0.30224E-01 4480 0.101E+00 0.250E-01 DAV: 2 -0.677168689347E+03 -0.32038E-03 -0.78922E-03 5280 0.161E-01 109 F= -.67716869E+03 E0= -.67716869E+03 d E =-.371919E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677170750153E+03 -0.23812E-02 -0.27473E+00 4224 0.305E+00 0.763E-01 DAV: 2 -0.677173397151E+03 -0.26470E-02 -0.72015E-02 5248 0.491E-01 0.336E-01 DAV: 3 -0.677172649900E+03 0.74725E-03 -0.25512E-03 4576 0.111E-01 110 F= -.67717265E+03 E0= -.67717265E+03 d E =-.767974E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677176118123E+03 -0.27210E-02 -0.33253E-01 4416 0.107E+00 0.321E-01 DAV: 2 -0.677176325529E+03 -0.20741E-03 -0.81122E-03 5216 0.166E-01 111 F= -.67717633E+03 E0= -.67717633E+03 d E =-.367563E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677178838727E+03 -0.27206E-02 -0.30603E+00 4224 0.325E+00 0.957E-01 DAV: 2 -0.677181343604E+03 -0.25049E-02 -0.78371E-02 5216 0.510E-01 0.414E-01 DAV: 3 -0.677180222590E+03 0.11210E-02 -0.28599E-03 4864 0.121E-01 0.223E-01 DAV: 4 -0.677180031576E+03 0.19101E-03 -0.13066E-03 3456 0.808E-02 112 F= -.67718003E+03 E0= -.67718003E+03 d E =-.738168E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677182802762E+03 -0.25802E-02 -0.39556E-01 4480 0.116E+00 0.359E-01 DAV: 2 -0.677183551489E+03 -0.74873E-03 -0.10518E-02 5280 0.185E-01 0.163E-01 DAV: 3 -0.677183437666E+03 0.11382E-03 -0.29440E-04 2848 0.436E-02 113 F= -.67718344E+03 E0= -.67718344E+03 d E =-.340609E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677183651774E+03 -0.10029E-03 -0.52407E-01 4288 0.134E+00 0.403E-01 DAV: 2 -0.677184591501E+03 -0.93973E-03 -0.13657E-02 5376 0.212E-01 0.194E-01 DAV: 3 -0.677184419603E+03 0.17190E-03 -0.36409E-04 3136 0.485E-02 114 F= -.67718442E+03 E0= -.67718442E+03 d E =-.438803E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677188040164E+03 -0.34487E-02 -0.44046E-01 4288 0.124E+00 0.304E-01 DAV: 2 -0.677188789967E+03 -0.74980E-03 -0.10499E-02 5280 0.186E-01 0.114E-01 DAV: 3 -0.677188718772E+03 0.71195E-04 -0.26444E-04 2816 0.378E-02 115 F= -.67718872E+03 E0= -.67718872E+03 d E =-.429917E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677187669642E+03 0.11203E-02 -0.33695E+00 4224 0.342E+00 0.831E-01 DAV: 2 -0.677193502303E+03 -0.58327E-02 -0.79262E-02 5344 0.509E-01 0.319E-01 DAV: 3 -0.677192911062E+03 0.59124E-03 -0.20735E-03 4480 0.103E-01 116 F= -.67719291E+03 E0= -.67719291E+03 d E =-.849146E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677195941310E+03 -0.24390E-02 -0.28866E-01 4544 0.101E+00 0.291E-01 DAV: 2 -0.677196199014E+03 -0.25770E-03 -0.65256E-03 5248 0.149E-01 117 F= -.67719620E+03 E0= -.67719620E+03 d E =-.328795E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677197928877E+03 -0.19876E-02 -0.26815E+00 4288 0.306E+00 0.862E-01 DAV: 2 -0.677201030629E+03 -0.31018E-02 -0.64523E-02 5216 0.461E-01 0.351E-01 DAV: 3 -0.677200346843E+03 0.68379E-03 -0.20115E-03 4224 0.101E-01 118 F= -.67720035E+03 E0= -.67720035E+03 d E =-.743578E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677202918924E+03 -0.18883E-02 -0.15503E-01 4608 0.749E-01 0.289E-01 DAV: 2 -0.677203093153E+03 -0.17423E-03 -0.46567E-03 5152 0.125E-01 119 F= -.67720309E+03 E0= -.67720309E+03 d E =-.274631E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677204099087E+03 -0.11802E-02 -0.29362E-01 4416 0.103E+00 0.415E-01 DAV: 2 -0.677204321257E+03 -0.22217E-03 -0.85002E-03 5312 0.170E-01 120 F= -.67720432E+03 E0= -.67720432E+03 d E =-.397441E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677206097013E+03 -0.19979E-02 -0.12976E-01 4544 0.687E-01 0.275E-01 DAV: 2 -0.677206162589E+03 -0.65576E-04 -0.32938E-03 5056 0.105E-01 121 F= -.67720616E+03 E0= -.67720616E+03 d E =-.184133E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677207339387E+03 -0.12424E-02 -0.46468E-01 4288 0.130E+00 0.515E-01 DAV: 2 -0.677207656527E+03 -0.31714E-03 -0.11758E-02 5376 0.199E-01 0.174E-01 DAV: 3 -0.677207442016E+03 0.21451E-03 -0.61700E-04 3264 0.543E-02 122 F= -.67720744E+03 E0= -.67720744E+03 d E =-.312076E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677209339240E+03 -0.16827E-02 -0.14653E-01 4544 0.723E-01 0.197E-01 DAV: 2 -0.677209572598E+03 -0.23336E-03 -0.38423E-03 5184 0.117E-01 123 F= -.67720957E+03 E0= -.67720957E+03 d E =-.213058E-02