N E dE d eps ncg rms rms(c) DAV: 1 0.487774132940E+04 0.48777E+04 -0.21661E+05 1280 0.148E+03 DAV: 2 0.250655248131E+03 -0.46271E+04 -0.44904E+04 1760 0.312E+02 DAV: 3 -0.666085121731E+03 -0.91674E+03 -0.91364E+03 1600 0.138E+02 DAV: 4 -0.695435573569E+03 -0.29350E+02 -0.29271E+02 1664 0.284E+01 DAV: 5 -0.696357247065E+03 -0.92167E+00 -0.92110E+00 1920 0.399E+00 0.457E+01 DAV: 6 -0.642144886088E+03 0.54212E+02 -0.22422E+02 1600 0.225E+01 0.190E+01 DAV: 7 -0.641164233389E+03 0.98065E+00 -0.75942E+00 1600 0.440E+00 0.124E+01 DAV: 8 -0.640611481526E+03 0.55275E+00 -0.22244E+00 1632 0.301E+00 0.197E+00 DAV: 9 -0.640576597898E+03 0.34884E-01 -0.28751E-01 1664 0.108E+00 0.940E-01 DAV: 10 -0.640575004550E+03 0.15933E-02 -0.84809E-02 1568 0.509E-01 0.477E-01 DAV: 11 -0.640573705702E+03 0.12988E-02 -0.75579E-03 1728 0.199E-01 0.330E-01 DAV: 12 -0.640569815947E+03 0.38898E-02 -0.12456E-02 1536 0.312E-01 0.127E-01 DAV: 13 -0.640570523344E+03 -0.70740E-03 -0.65241E-03 1568 0.179E-01 0.103E-01 DAV: 14 -0.640574752436E+03 -0.42291E-02 -0.25161E-03 1504 0.133E-01 0.700E-02 DAV: 15 -0.640577998334E+03 -0.32459E-02 -0.82017E-04 1600 0.765E-02 0.578E-02 DAV: 16 -0.640581204073E+03 -0.32057E-02 -0.79509E-04 1504 0.734E-02 0.242E-02 DAV: 17 -0.640582291396E+03 -0.10873E-02 -0.25128E-04 1536 0.298E-02 0.226E-02 DAV: 18 -0.640583268147E+03 -0.97675E-03 -0.59769E-05 1504 0.135E-02 0.121E-02 DAV: 19 -0.640583943945E+03 -0.67580E-03 -0.34154E-05 1344 0.903E-03 0.765E-03 DAV: 20 -0.640584372930E+03 -0.42898E-03 -0.22809E-05 1312 0.906E-03 0.544E-03 DAV: 21 -0.640584653659E+03 -0.28073E-03 -0.12267E-05 1120 0.736E-03 0.385E-03 DAV: 22 -0.640584841297E+03 -0.18764E-03 -0.10768E-05 1216 0.716E-03 0.297E-03 DAV: 23 -0.640584944301E+03 -0.10300E-03 -0.20140E-06 1024 0.311E-03 0.213E-03 DAV: 24 -0.640585008055E+03 -0.63754E-04 -0.55873E-07 1056 0.191E-03 0.116E-03 DAV: 25 -0.640585052299E+03 -0.44243E-04 0.17016E-07 1056 0.146E-03 0.632E-04 DAV: 26 -0.640585072634E+03 -0.20336E-04 0.71171E-07 1088 0.920E-04 0.693E-04 DAV: 27 -0.640585079636E+03 -0.70018E-05 0.96007E-07 1056 0.869E-04 1 F= -.64826050E+03 E0= -.64826050E+03 d E =-.648260E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640585003082E+03 0.69552E-04 -0.49925E-01 1408 0.134E+00 0.155E-01 DAV: 2 -0.640586071531E+03 -0.10684E-02 -0.12824E-02 1504 0.213E-01 0.939E-02 DAV: 3 -0.640585971143E+03 0.10039E-03 -0.26379E-04 1568 0.348E-02 0.617E-02 DAV: 4 -0.640585922492E+03 0.48651E-04 -0.17102E-04 1536 0.279E-02 0.223E-02 DAV: 5 -0.640585924158E+03 -0.16665E-05 -0.49722E-05 1536 0.143E-02 2 F= -.64826164E+03 E0= -.64826164E+03 d E =-.113835E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640586111623E+03 -0.18913E-03 -0.37702E-02 1472 0.368E-01 0.406E-02 DAV: 2 -0.640586189496E+03 -0.77873E-04 -0.94760E-04 1472 0.583E-02 0.272E-02 DAV: 3 -0.640586181674E+03 0.78220E-05 -0.20027E-05 1408 0.987E-03 3 F= -.64826181E+03 E0= -.64826181E+03 d E =-.131564E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640587112135E+03 -0.92264E-03 -0.83055E-02 1440 0.542E-01 0.682E-02 DAV: 2 -0.640587299103E+03 -0.18697E-03 -0.20894E-03 1536 0.837E-02 0.338E-02 DAV: 3 -0.640587287390E+03 0.11714E-04 -0.27275E-05 1344 0.114E-02 0.229E-02 DAV: 4 -0.640587282845E+03 0.45447E-05 -0.40494E-05 1408 0.133E-02 4 F= -.64826296E+03 E0= -.64826296E+03 d E =-.114956E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640587495182E+03 -0.20779E-03 -0.67995E-01 1408 0.155E+00 0.195E-01 DAV: 2 -0.640588968495E+03 -0.14733E-02 -0.16654E-02 1536 0.238E-01 0.995E-02 DAV: 3 -0.640588874813E+03 0.93682E-04 -0.24337E-04 1664 0.329E-02 0.677E-02 DAV: 4 -0.640588830178E+03 0.44635E-04 -0.34038E-04 1536 0.382E-02 0.219E-02 DAV: 5 -0.640588833502E+03 -0.33237E-05 -0.62934E-05 1568 0.157E-02 5 F= -.64826464E+03 E0= -.64826464E+03 d E =-.282898E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640588786880E+03 0.43298E-04 -0.32291E-02 1408 0.338E-01 0.456E-02 DAV: 2 -0.640588859441E+03 -0.72561E-04 -0.84299E-04 1440 0.532E-02 0.212E-02 DAV: 3 -0.640588855380E+03 0.40601E-05 -0.99385E-06 1120 0.794E-03 6 F= -.64826469E+03 E0= -.64826469E+03 d E =-.287697E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640589553337E+03 -0.69390E-03 -0.18817E-01 1408 0.812E-01 0.106E-01 DAV: 2 -0.640589992289E+03 -0.43895E-03 -0.49918E-03 1504 0.129E-01 0.584E-02 DAV: 3 -0.640589959929E+03 0.32361E-04 -0.92276E-05 1664 0.212E-02 0.388E-02 DAV: 4 -0.640589946608E+03 0.13321E-04 -0.61852E-05 1536 0.165E-02 0.137E-02 DAV: 5 -0.640589948870E+03 -0.22616E-05 -0.12996E-05 1248 0.768E-03 7 F= -.64826573E+03 E0= -.64826573E+03 d E =-.103748E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640590007747E+03 -0.61139E-04 -0.32871E-02 1408 0.339E-01 0.467E-02 DAV: 2 -0.640590086012E+03 -0.78265E-04 -0.89155E-04 1504 0.545E-02 0.236E-02 DAV: 3 -0.640590080446E+03 0.55666E-05 -0.13860E-05 1248 0.909E-03 8 F= -.64826583E+03 E0= -.64826583E+03 d E =-.114416E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640591044793E+03 -0.95878E-03 -0.19453E-01 1344 0.819E-01 0.108E-01 DAV: 2 -0.640591486359E+03 -0.44157E-03 -0.48780E-03 1504 0.127E-01 0.554E-02 DAV: 3 -0.640591462983E+03 0.23376E-04 -0.69305E-05 1696 0.173E-02 0.377E-02 DAV: 4 -0.640591454332E+03 0.86503E-05 -0.98047E-05 1536 0.204E-02 9 F= -.64826713E+03 E0= -.64826713E+03 d E =-.130099E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640592057865E+03 -0.59488E-03 -0.24070E-01 1408 0.911E-01 0.125E-01 DAV: 2 -0.640592616015E+03 -0.55815E-03 -0.62146E-03 1504 0.143E-01 0.599E-02 DAV: 3 -0.640592588286E+03 0.27729E-04 -0.89047E-05 1664 0.199E-02 0.405E-02 DAV: 4 -0.640592578328E+03 0.99575E-05 -0.11741E-04 1536 0.227E-02 0.125E-02 DAV: 5 -0.640592579893E+03 -0.15651E-05 -0.21354E-05 1344 0.917E-03 10 F= -.64826817E+03 E0= -.64826817E+03 d E =-.234047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640591474570E+03 0.11038E-02 -0.95864E-01 1344 0.182E+00 0.242E-01 DAV: 2 -0.640593721178E+03 -0.22466E-02 -0.24666E-02 1504 0.284E-01 0.120E-01 DAV: 3 -0.640593605186E+03 0.11599E-03 -0.34346E-04 1696 0.387E-02 0.818E-02 DAV: 4 -0.640593553813E+03 0.51373E-04 -0.48924E-04 1536 0.454E-02 0.250E-02 DAV: 5 -0.640593559354E+03 -0.55410E-05 -0.92833E-05 1536 0.184E-02 11 F= -.64826896E+03 E0= -.64826896E+03 d E =-.313074E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640594165229E+03 -0.61142E-03 -0.12582E-01 1408 0.662E-01 0.919E-02 DAV: 2 -0.640594460193E+03 -0.29496E-03 -0.33583E-03 1440 0.107E-01 0.429E-02 DAV: 3 -0.640594446994E+03 0.13199E-04 -0.51240E-05 1664 0.153E-02 0.286E-02 DAV: 4 -0.640594442678E+03 0.43162E-05 -0.49215E-05 1440 0.151E-02 12 F= -.64826976E+03 E0= -.64826976E+03 d E =-.792811E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640594568611E+03 -0.12162E-03 -0.21533E-01 1344 0.866E-01 0.117E-01 DAV: 2 -0.640595059589E+03 -0.49098E-03 -0.55682E-03 1472 0.138E-01 0.568E-02 DAV: 3 -0.640595035176E+03 0.24413E-04 -0.90944E-05 1728 0.200E-02 0.377E-02 DAV: 4 -0.640595025142E+03 0.10034E-04 -0.80746E-05 1536 0.191E-02 0.116E-02 DAV: 5 -0.640595027178E+03 -0.20364E-05 -0.15940E-05 1312 0.807E-03 13 F= -.64827022E+03 E0= -.64827022E+03 d E =-.125685E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640595045678E+03 -0.20536E-04 -0.92589E-03 1440 0.180E-01 0.261E-02 DAV: 2 -0.640595068063E+03 -0.22385E-04 -0.25182E-04 1440 0.291E-02 0.111E-02 DAV: 3 -0.640595067349E+03 0.71420E-06 -0.20689E-06 1120 0.416E-03 14 F= -.64827024E+03 E0= -.64827024E+03 d E =-.127175E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640595339894E+03 -0.27183E-03 -0.10051E-02 1440 0.182E-01 0.235E-02 DAV: 2 -0.640595360890E+03 -0.20995E-04 -0.23623E-04 1472 0.279E-02 0.128E-02 DAV: 3 -0.640595359873E+03 0.10168E-05 -0.27329E-06 1120 0.449E-03 15 F= -.64827049E+03 E0= -.64827049E+03 d E =-.255830E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640595828493E+03 -0.46760E-03 -0.91071E-02 1408 0.547E-01 0.701E-02 DAV: 2 -0.640596020299E+03 -0.19181E-03 -0.21754E-03 1536 0.844E-02 0.384E-02 DAV: 3 -0.640596008525E+03 0.11773E-04 -0.36144E-05 1600 0.130E-02 0.250E-02 DAV: 4 -0.640596004602E+03 0.39228E-05 -0.29771E-05 1344 0.118E-02 16 F= -.64827103E+03 E0= -.64827103E+03 d E =-.790750E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640595550407E+03 0.45812E-03 -0.36724E-01 1344 0.110E+00 0.142E-01 DAV: 2 -0.640596342888E+03 -0.79248E-03 -0.89623E-03 1536 0.171E-01 0.762E-02 DAV: 3 -0.640596294078E+03 0.48810E-04 -0.15169E-04 1600 0.264E-02 0.495E-02 DAV: 4 -0.640596275012E+03 0.19066E-04 -0.12743E-04 1536 0.237E-02 0.143E-02 DAV: 5 -0.640596277169E+03 -0.21572E-05 -0.26357E-05 1440 0.108E-02 17 F= -.64827108E+03 E0= -.64827108E+03 d E =-.844847E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640596156398E+03 0.11861E-03 -0.82728E-02 1408 0.521E-01 0.641E-02 DAV: 2 -0.640596331424E+03 -0.17503E-03 -0.19799E-03 1472 0.806E-02 0.374E-02 DAV: 3 -0.640596319586E+03 0.11838E-04 -0.32940E-05 1568 0.123E-02 0.245E-02 DAV: 4 -0.640596315734E+03 0.38522E-05 -0.27454E-05 1312 0.109E-02 18 F= -.64827122E+03 E0= -.64827122E+03 d E =-.986963E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640596474111E+03 -0.15453E-03 -0.30715E-03 1472 0.101E-01 0.109E-02 DAV: 2 -0.640596480856E+03 -0.67446E-05 -0.70488E-05 1504 0.152E-02 19 F= -.64827138E+03 E0= -.64827138E+03 d E =-.152084E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640596896512E+03 -0.42240E-03 -0.27547E-02 1408 0.301E-01 0.387E-02 DAV: 2 -0.640596952451E+03 -0.55939E-04 -0.62183E-04 1504 0.450E-02 0.228E-02 DAV: 3 -0.640596949151E+03 0.32997E-05 -0.67577E-06 1056 0.634E-03 20 F= -.64827180E+03 E0= -.64827180E+03 d E =-.581318E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640597572946E+03 -0.62050E-03 -0.10875E-01 1376 0.598E-01 0.780E-02 DAV: 2 -0.640597794598E+03 -0.22165E-03 -0.24704E-03 1504 0.893E-02 0.398E-02 DAV: 3 -0.640597785529E+03 0.90699E-05 -0.35359E-05 1632 0.125E-02 21 F= -.64827256E+03 E0= -.64827256E+03 d E =-.133984E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640598204395E+03 -0.40980E-03 -0.43691E-01 1344 0.120E+00 0.157E-01 DAV: 2 -0.640599104606E+03 -0.90021E-03 -0.99649E-03 1472 0.180E-01 0.808E-02 DAV: 3 -0.640599065674E+03 0.38932E-04 -0.14617E-04 1664 0.253E-02 0.533E-02 DAV: 4 -0.640599057138E+03 0.85356E-05 -0.17134E-04 1536 0.262E-02 0.144E-02 DAV: 5 -0.640599058733E+03 -0.15953E-05 -0.30595E-05 1536 0.114E-02 22 F= -.64827368E+03 E0= -.64827368E+03 d E =-.245837E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640596392935E+03 0.26642E-02 -0.17668E+00 1280 0.241E+00 0.313E-01 DAV: 2 -0.640600207059E+03 -0.38141E-02 -0.41603E-02 1472 0.365E-01 0.161E-01 DAV: 3 -0.640600033474E+03 0.17359E-03 -0.56494E-04 1728 0.499E-02 0.107E-01 DAV: 4 -0.640599981458E+03 0.52016E-04 -0.75641E-04 1536 0.547E-02 0.293E-02 DAV: 5 -0.640599986435E+03 -0.49774E-05 -0.13619E-04 1536 0.235E-02 0.213E-02 DAV: 6 -0.640599984477E+03 0.19585E-05 -0.33281E-05 1408 0.121E-02 23 F= -.64827430E+03 E0= -.64827430E+03 d E =-.307897E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640600129451E+03 -0.14302E-03 -0.33007E-01 1280 0.106E+00 0.136E-01 DAV: 2 -0.640600858188E+03 -0.72874E-03 -0.79930E-03 1472 0.162E-01 0.722E-02 DAV: 3 -0.640600822877E+03 0.35310E-04 -0.11657E-04 1728 0.231E-02 0.474E-02 DAV: 4 -0.640600815440E+03 0.74374E-05 -0.12367E-04 1504 0.220E-02 0.127E-02 DAV: 5 -0.640600818676E+03 -0.32357E-05 -0.20728E-05 1408 0.948E-03 24 F= -.64827503E+03 E0= -.64827503E+03 d E =-.725661E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640600697738E+03 0.11770E-03 -0.17483E-01 1280 0.768E-01 0.995E-02 DAV: 2 -0.640601083344E+03 -0.38561E-03 -0.42361E-03 1472 0.118E-01 0.522E-02 DAV: 3 -0.640601065029E+03 0.18316E-04 -0.60266E-05 1728 0.168E-02 0.342E-02 DAV: 4 -0.640601062604E+03 0.24251E-05 -0.67637E-05 1440 0.164E-02 25 F= -.64827519E+03 E0= -.64827519E+03 d E =-.890447E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640601792040E+03 -0.72701E-03 -0.13192E-01 1344 0.660E-01 0.906E-02 DAV: 2 -0.640602077428E+03 -0.28539E-03 -0.31648E-03 1440 0.102E-01 0.460E-02 DAV: 3 -0.640602066248E+03 0.11180E-04 -0.45218E-05 1664 0.141E-02 0.300E-02 DAV: 4 -0.640602067326E+03 -0.10779E-05 -0.61872E-05 1408 0.152E-02 26 F= -.64827611E+03 E0= -.64827611E+03 d E =-.919930E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640601457346E+03 0.60890E-03 -0.11853E+00 1280 0.198E+00 0.264E-01 DAV: 2 -0.640604029260E+03 -0.25719E-02 -0.28294E-02 1472 0.304E-01 0.138E-01 DAV: 3 -0.640603915353E+03 0.11391E-03 -0.40417E-04 1696 0.418E-02 0.909E-02 DAV: 4 -0.640603892840E+03 0.22512E-04 -0.59527E-04 1472 0.466E-02 0.271E-02 DAV: 5 -0.640603893313E+03 -0.47297E-06 -0.90365E-05 1568 0.190E-02 27 F= -.64827769E+03 E0= -.64827769E+03 d E =-.249620E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640603679560E+03 0.21328E-03 -0.21166E-01 1344 0.836E-01 0.115E-01 DAV: 2 -0.640604154595E+03 -0.47503E-03 -0.52526E-03 1472 0.130E-01 0.580E-02 DAV: 3 -0.640604137003E+03 0.17592E-04 -0.72715E-05 1664 0.182E-02 0.382E-02 DAV: 4 -0.640604139436E+03 -0.24336E-05 -0.11138E-04 1440 0.202E-02 0.124E-02 DAV: 5 -0.640604139697E+03 -0.26071E-06 -0.14582E-05 1408 0.821E-03 28 F= -.64827783E+03 E0= -.64827783E+03 d E =-.263917E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640604555638E+03 -0.41620E-03 -0.77604E-02 1344 0.505E-01 0.659E-02 DAV: 2 -0.640604729921E+03 -0.17428E-03 -0.19140E-03 1344 0.792E-02 0.353E-02 DAV: 3 -0.640604722090E+03 0.78311E-05 -0.24857E-05 1632 0.109E-02 29 F= -.64827840E+03 E0= -.64827840E+03 d E =-.572413E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640604248370E+03 0.48155E-03 -0.69100E-01 1280 0.151E+00 0.194E-01 DAV: 2 -0.640605720014E+03 -0.14716E-02 -0.16267E-02 1376 0.232E-01 0.105E-01 DAV: 3 -0.640605644702E+03 0.75312E-04 -0.23337E-04 1728 0.315E-02 0.691E-02 DAV: 4 -0.640605624278E+03 0.20423E-04 -0.30962E-04 1536 0.351E-02 0.182E-02 DAV: 5 -0.640605627719E+03 -0.34403E-05 -0.54970E-05 1568 0.146E-02 30 F= -.64827928E+03 E0= -.64827928E+03 d E =-.144958E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640605599217E+03 0.25061E-04 -0.25606E-02 1344 0.290E-01 0.408E-02 DAV: 2 -0.640605659797E+03 -0.60580E-04 -0.66551E-04 1440 0.465E-02 0.197E-02 DAV: 3 -0.640605658186E+03 0.16115E-05 -0.68316E-06 1184 0.654E-03 31 F= -.64827931E+03 E0= -.64827931E+03 d E =-.147485E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640605910736E+03 -0.25094E-03 -0.18974E-02 1408 0.257E-01 0.327E-02 DAV: 2 -0.640605948321E+03 -0.37585E-04 -0.42766E-04 1472 0.388E-02 0.173E-02 DAV: 3 -0.640605946853E+03 0.14674E-05 -0.66078E-06 1152 0.624E-03 32 F= -.64827961E+03 E0= -.64827961E+03 d E =-.301368E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640606230559E+03 -0.28224E-03 -0.17358E-01 1280 0.778E-01 0.969E-02 DAV: 2 -0.640606586667E+03 -0.35611E-03 -0.40255E-03 1472 0.119E-01 0.530E-02 DAV: 3 -0.640606567089E+03 0.19578E-04 -0.72053E-05 1664 0.179E-02 0.347E-02 DAV: 4 -0.640606561242E+03 0.58470E-05 -0.56327E-05 1440 0.160E-02 33 F= -.64828026E+03 E0= -.64828026E+03 d E =-.954126E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640605357667E+03 0.12094E-02 -0.69939E-01 1280 0.156E+00 0.196E-01 DAV: 2 -0.640606822785E+03 -0.14651E-02 -0.16546E-02 1536 0.240E-01 0.105E-01 DAV: 3 -0.640606742718E+03 0.80067E-04 -0.29733E-04 1664 0.365E-02 0.683E-02 DAV: 4 -0.640606714387E+03 0.28331E-04 -0.23128E-04 1536 0.320E-02 0.204E-02 DAV: 5 -0.640606720061E+03 -0.56740E-05 -0.45378E-05 1536 0.134E-02 34 F= -.64828050E+03 E0= -.64828050E+03 d E =-.119091E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640606650044E+03 0.64343E-04 -0.93575E-02 1280 0.571E-01 0.675E-02 DAV: 2 -0.640606841713E+03 -0.19167E-03 -0.21593E-03 1504 0.871E-02 0.398E-02 DAV: 3 -0.640606830646E+03 0.11067E-04 -0.39004E-05 1696 0.133E-02 0.263E-02 DAV: 4 -0.640606828323E+03 0.23234E-05 -0.30338E-05 1376 0.116E-02 35 F= -.64828058E+03 E0= -.64828058E+03 d E =-.127044E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640607066504E+03 -0.23586E-03 -0.14009E-02 1472 0.219E-01 0.248E-02 DAV: 2 -0.640607096780E+03 -0.30276E-04 -0.32441E-04 1472 0.333E-02 0.151E-02 DAV: 3 -0.640607095263E+03 0.15171E-05 -0.24926E-06 1152 0.430E-03 36 F= -.64828084E+03 E0= -.64828084E+03 d E =-.261222E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640607544943E+03 -0.44816E-03 -0.12486E-01 1344 0.652E-01 0.808E-02 DAV: 2 -0.640607801803E+03 -0.25686E-03 -0.28328E-03 1472 0.979E-02 0.432E-02 DAV: 3 -0.640607790281E+03 0.11522E-04 -0.39557E-05 1664 0.131E-02 0.287E-02 DAV: 4 -0.640607788558E+03 0.17230E-05 -0.49228E-05 1408 0.143E-02 37 F= -.64828151E+03 E0= -.64828151E+03 d E =-.937594E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640607700778E+03 0.89504E-04 -0.50538E-01 1280 0.131E+00 0.165E-01 DAV: 2 -0.640608776608E+03 -0.10758E-02 -0.11792E-02 1504 0.199E-01 0.869E-02 DAV: 3 -0.640608726908E+03 0.49699E-04 -0.16428E-04 1696 0.269E-02 0.577E-02 DAV: 4 -0.640608714613E+03 0.12295E-04 -0.21361E-04 1440 0.294E-02 0.151E-02 DAV: 5 -0.640608716850E+03 -0.22365E-05 -0.36327E-05 1568 0.122E-02 38 F= -.64828241E+03 E0= -.64828241E+03 d E =-.183310E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640604660741E+03 0.40539E-02 -0.20175E+00 1280 0.262E+00 0.326E-01 DAV: 2 -0.640608982423E+03 -0.43217E-02 -0.47034E-02 1440 0.399E-01 0.174E-01 DAV: 3 -0.640608781512E+03 0.20091E-03 -0.65192E-04 1696 0.537E-02 0.116E-01 DAV: 4 -0.640608717645E+03 0.63867E-04 -0.89005E-04 1472 0.598E-02 0.301E-02 DAV: 5 -0.640608725414E+03 -0.77689E-05 -0.15661E-04 1568 0.247E-02 0.219E-02 DAV: 6 -0.640608725185E+03 0.22924E-06 -0.33881E-05 1312 0.117E-02 39 F= -.64828236E+03 E0= -.64828236E+03 d E =-.178017E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640607958538E+03 0.76688E-03 -0.54684E-01 1280 0.137E+00 0.165E-01 DAV: 2 -0.640609111429E+03 -0.11529E-02 -0.12563E-02 1472 0.206E-01 0.917E-02 DAV: 3 -0.640609052715E+03 0.58714E-04 -0.17409E-04 1728 0.277E-02 0.613E-02 DAV: 4 -0.640609036162E+03 0.16553E-04 -0.24476E-04 1472 0.315E-02 0.158E-02 DAV: 5 -0.640609038971E+03 -0.28089E-05 -0.42674E-05 1600 0.130E-02 40 F= -.64828270E+03 E0= -.64828270E+03 d E =-.212515E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640609292202E+03 -0.25604E-03 -0.81253E-02 1344 0.522E-01 0.610E-02 DAV: 2 -0.640609463610E+03 -0.17141E-03 -0.19029E-03 1504 0.808E-02 0.365E-02 DAV: 3 -0.640609452454E+03 0.11156E-04 -0.26895E-05 1632 0.110E-02 0.244E-02 DAV: 4 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3 -0.640611003518E+03 0.36835E-04 -0.16192E-04 1664 0.256E-02 0.545E-02 DAV: 4 -0.640610994990E+03 0.85280E-05 -0.17026E-04 1536 0.268E-02 0.151E-02 DAV: 5 -0.640610997019E+03 -0.20292E-05 -0.28130E-05 1536 0.109E-02 44 F= -.64828482E+03 E0= -.64828482E+03 d E =-.148043E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640607241975E+03 0.37530E-02 -0.17249E+00 1280 0.245E+00 0.315E-01 DAV: 2 -0.640611072254E+03 -0.38303E-02 -0.42143E-02 1536 0.382E-01 0.164E-01 DAV: 3 -0.640610914019E+03 0.15823E-03 -0.64729E-04 1600 0.513E-02 0.109E-01 DAV: 4 -0.640610865398E+03 0.48621E-04 -0.72508E-04 1536 0.549E-02 0.309E-02 DAV: 5 -0.640610871855E+03 -0.64571E-05 -0.12069E-04 1536 0.223E-02 0.214E-02 DAV: 6 -0.640610870372E+03 0.14834E-05 -0.34064E-05 1440 0.115E-02 45 F= -.64828494E+03 E0= -.64828494E+03 d E =-.160421E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640610520770E+03 0.35109E-03 -0.35120E-01 1280 0.111E+00 0.138E-01 DAV: 2 -0.640611282257E+03 -0.76149E-03 -0.84333E-03 1504 0.172E-01 0.752E-02 DAV: 3 -0.640611247824E+03 0.34433E-04 -0.13187E-04 1696 0.233E-02 0.502E-02 DAV: 4 -0.640611239459E+03 0.83655E-05 -0.15273E-04 1504 0.252E-02 0.142E-02 DAV: 5 -0.640611241615E+03 -0.21560E-05 -0.24345E-05 1472 0.101E-02 46 F= -.64828520E+03 E0= -.64828520E+03 d E =-.186149E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640611491182E+03 -0.25172E-03 -0.42958E-02 1344 0.383E-01 0.462E-02 DAV: 2 -0.640611582323E+03 -0.91142E-04 -0.10067E-03 1440 0.592E-02 0.272E-02 DAV: 3 -0.640611576954E+03 0.53691E-05 -0.12515E-05 1280 0.774E-03 47 F= -.64828551E+03 E0= -.64828551E+03 d E =-.314233E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640611392234E+03 0.19009E-03 -0.38347E-01 1344 0.115E+00 0.146E-01 DAV: 2 -0.640612217975E+03 -0.82574E-03 -0.91374E-03 1472 0.178E-01 0.787E-02 DAV: 3 -0.640612179246E+03 0.38729E-04 -0.13783E-04 1664 0.239E-02 0.523E-02 DAV: 4 -0.640612170055E+03 0.91913E-05 -0.17299E-04 1536 0.261E-02 0.140E-02 DAV: 5 -0.640612171641E+03 -0.15864E-05 -0.27656E-05 1568 0.107E-02 48 F= -.64828605E+03 E0= -.64828605E+03 d E =-.846288E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640612130545E+03 0.39510E-04 -0.47794E-02 1344 0.404E-01 0.538E-02 DAV: 2 -0.640612239608E+03 -0.10906E-03 -0.12070E-03 1440 0.643E-02 0.276E-02 DAV: 3 -0.640612235224E+03 0.43838E-05 -0.15732E-05 1280 0.881E-03 49 F= -.64828609E+03 E0= -.64828609E+03 d E =-.888133E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640612426897E+03 -0.18729E-03 -0.17972E-02 1504 0.245E-01 0.334E-02 DAV: 2 -0.640612463102E+03 -0.36206E-04 -0.41936E-04 1376 0.379E-02 0.172E-02 DAV: 3 -0.640612462225E+03 0.87681E-06 -0.64950E-06 1152 0.575E-03 50 F= -.64828635E+03 E0= -.64828635E+03 d E =-.257975E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640612594436E+03 -0.13133E-03 -0.16637E-01 1280 0.744E-01 0.992E-02 DAV: 2 -0.640612962530E+03 -0.36809E-03 -0.41244E-03 1536 0.118E-01 0.527E-02 DAV: 3 -0.640612946794E+03 0.15736E-04 -0.65032E-05 1664 0.159E-02 0.352E-02 DAV: 4 -0.640612942727E+03 0.40670E-05 -0.69180E-05 1472 0.163E-02 51 F= -.64828692E+03 E0= -.64828692E+03 d E =-.831580E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640611570020E+03 0.13768E-02 -0.67125E-01 1280 0.149E+00 0.202E-01 DAV: 2 -0.640613090344E+03 -0.15203E-02 -0.17003E-02 1536 0.240E-01 0.105E-01 DAV: 3 -0.640613024393E+03 0.65951E-04 -0.27061E-04 1664 0.324E-02 0.696E-02 DAV: 4 -0.640613001452E+03 0.22940E-04 -0.28431E-04 1472 0.328E-02 0.200E-02 DAV: 5 -0.640613004519E+03 -0.30665E-05 -0.45178E-05 1568 0.136E-02 52 F= -.64828717E+03 E0= -.64828717E+03 d E =-.108050E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640612977191E+03 0.24261E-04 -0.66795E-02 1344 0.471E-01 0.592E-02 DAV: 2 -0.640613123472E+03 -0.14628E-03 -0.16123E-03 1440 0.744E-02 0.343E-02 DAV: 3 -0.640613116412E+03 0.70604E-05 -0.24200E-05 1472 0.101E-02 53 F= -.64828722E+03 E0= -.64828722E+03 d E =-.113314E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613214903E+03 -0.91431E-04 -0.11762E-02 1440 0.198E-01 0.256E-02 DAV: 2 -0.640613246442E+03 -0.31539E-04 -0.33082E-04 1536 0.331E-02 0.139E-02 DAV: 3 -0.640613244841E+03 0.16011E-05 -0.27696E-06 1152 0.415E-03 54 F= -.64828741E+03 E0= -.64828741E+03 d E =-.189604E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613375402E+03 -0.12896E-03 -0.98669E-02 1344 0.573E-01 0.753E-02 DAV: 2 -0.640613589557E+03 -0.21416E-03 -0.23980E-03 1440 0.903E-02 0.390E-02 DAV: 3 -0.640613580914E+03 0.86430E-05 -0.36414E-05 1664 0.119E-02 55 F= -.64828793E+03 E0= -.64828793E+03 d E =-.709358E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613197973E+03 0.39158E-03 -0.39389E-01 1312 0.114E+00 0.152E-01 DAV: 2 -0.640614050427E+03 -0.85245E-03 -0.95402E-03 1408 0.180E-01 0.783E-02 DAV: 3 -0.640614016755E+03 0.33673E-04 -0.15286E-04 1696 0.241E-02 0.522E-02 DAV: 4 -0.640614007343E+03 0.94122E-05 -0.15609E-04 1536 0.244E-02 0.147E-02 DAV: 5 -0.640614009525E+03 -0.21823E-05 -0.24902E-05 1504 0.992E-03 56 F= -.64828873E+03 E0= -.64828873E+03 d E =-.150603E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640610553027E+03 0.34543E-02 -0.15946E+00 1280 0.230E+00 0.304E-01 DAV: 2 -0.640614174811E+03 -0.36218E-02 -0.39901E-02 1472 0.367E-01 0.156E-01 DAV: 3 -0.640614024003E+03 0.15081E-03 -0.59607E-04 1696 0.478E-02 0.105E-01 DAV: 4 -0.640613967039E+03 0.56964E-04 -0.69490E-04 1504 0.511E-02 0.299E-02 DAV: 5 -0.640613973624E+03 -0.65858E-05 -0.11229E-04 1536 0.206E-02 0.206E-02 DAV: 6 -0.640613971804E+03 0.18203E-05 -0.31488E-05 1440 0.112E-02 57 F= -.64828943E+03 E0= -.64828943E+03 d E =-.220717E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614040056E+03 -0.66432E-04 -0.65455E-02 1344 0.473E-01 0.639E-02 DAV: 2 -0.640614195558E+03 -0.15550E-03 -0.17422E-03 1440 0.777E-02 0.327E-02 DAV: 3 -0.640614188726E+03 0.68328E-05 -0.28265E-05 1568 0.112E-02 58 F= -.64828979E+03 E0= -.64828979E+03 d E =-.364523E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613851816E+03 0.34374E-03 -0.15931E-01 1280 0.737E-01 0.973E-02 DAV: 2 -0.640614198183E+03 -0.34637E-03 -0.39714E-03 1408 0.118E-01 0.533E-02 DAV: 3 -0.640614179205E+03 0.18978E-04 -0.76189E-05 1728 0.179E-02 0.350E-02 DAV: 4 -0.640614172963E+03 0.62417E-05 -0.52376E-05 1472 0.150E-02 59 F= -.64829001E+03 E0= -.64829001E+03 d E =-.581604E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614198486E+03 -0.19281E-04 -0.80650E-02 1344 0.518E-01 0.750E-02 DAV: 2 -0.640614392521E+03 -0.19403E-03 -0.21557E-03 1376 0.846E-02 0.363E-02 DAV: 3 -0.640614386605E+03 0.59151E-05 -0.31926E-05 1568 0.114E-02 60 F= -.64829046E+03 E0= -.64829046E+03 d E =-.448169E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640612882344E+03 0.15102E-02 -0.72011E-01 1280 0.155E+00 0.216E-01 DAV: 2 -0.640614607782E+03 -0.17254E-02 -0.18947E-02 1472 0.251E-01 0.110E-01 DAV: 3 -0.640614547867E+03 0.59916E-04 -0.28568E-04 1728 0.328E-02 0.740E-02 DAV: 4 -0.640614531399E+03 0.16467E-04 -0.32949E-04 1504 0.355E-02 0.225E-02 DAV: 5 -0.640614534722E+03 -0.33222E-05 -0.53181E-05 1568 0.145E-02 61 F= -.64829131E+03 E0= -.64829131E+03 d E =-.130462E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640605783278E+03 0.87481E-02 -0.29051E+00 1280 0.311E+00 0.436E-01 DAV: 2 -0.640612963940E+03 -0.71807E-02 -0.78158E-02 1504 0.509E-01 0.221E-01 DAV: 3 -0.640612705038E+03 0.25890E-03 -0.11616E-03 1664 0.667E-02 0.149E-01 DAV: 4 -0.640612612007E+03 0.93031E-04 -0.14431E-03 1504 0.739E-02 0.460E-02 DAV: 5 -0.640612620736E+03 -0.87295E-05 -0.23413E-04 1568 0.298E-02 0.298E-02 DAV: 6 -0.640612617244E+03 0.34927E-05 -0.68607E-05 1472 0.168E-02 62 F= -.64829083E+03 E0= -.64829083E+03 d E =-.825002E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640611245458E+03 0.13753E-02 -0.12901E+00 1280 0.207E+00 0.284E-01 DAV: 2 -0.640614385874E+03 -0.31404E-02 -0.34095E-02 1536 0.337E-01 0.148E-01 DAV: 3 -0.640614262287E+03 0.12359E-03 -0.50361E-04 1728 0.438E-02 0.999E-02 DAV: 4 -0.640614221601E+03 0.40686E-04 -0.63517E-04 1504 0.490E-02 0.306E-02 DAV: 5 -0.640614226910E+03 -0.53096E-05 -0.10224E-04 1568 0.197E-02 0.192E-02 DAV: 6 -0.640614225739E+03 0.11711E-05 -0.27746E-05 1440 0.108E-02 63 F= -.64829148E+03 E0= -.64829148E+03 d E =-.147139E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613308631E+03 0.91828E-03 -0.38863E-01 1344 0.114E+00 0.150E-01 DAV: 2 -0.640614214619E+03 -0.90599E-03 -0.10217E-02 1504 0.187E-01 0.815E-02 DAV: 3 -0.640614166326E+03 0.48292E-04 -0.18872E-04 1696 0.284E-02 0.537E-02 DAV: 4 -0.640614145060E+03 0.21267E-04 -0.12016E-04 1536 0.227E-02 0.185E-02 DAV: 5 -0.640614148862E+03 -0.38022E-05 -0.26345E-05 1536 0.974E-03 64 F= -.64829197E+03 E0= -.64829197E+03 d E =-.484963E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614179231E+03 -0.34171E-04 -0.12443E-03 1504 0.648E-02 0.695E-03 DAV: 2 -0.640614181547E+03 -0.23166E-05 -0.27535E-05 1440 0.103E-02 65 F= -.64829197E+03 E0= -.64829197E+03 d E =-.485690E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614153643E+03 0.25588E-04 -0.12020E-01 1344 0.635E-01 0.848E-02 DAV: 2 -0.640614435536E+03 -0.28189E-03 -0.31561E-03 1504 0.103E-01 0.416E-02 DAV: 3 -0.640614423110E+03 0.12426E-04 -0.45670E-05 1664 0.137E-02 0.280E-02 DAV: 4 -0.640614418361E+03 0.47491E-05 -0.44947E-05 1408 0.137E-02 66 F= -.64829239E+03 E0= -.64829239E+03 d E =-.423934E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640613869209E+03 0.55390E-03 -0.27985E-01 1280 0.969E-01 0.131E-01 DAV: 2 -0.640614517640E+03 -0.64843E-03 -0.73048E-03 1440 0.157E-01 0.657E-02 DAV: 3 -0.640614488855E+03 0.28786E-04 -0.11290E-04 1664 0.215E-02 0.440E-02 DAV: 4 -0.640614477189E+03 0.11665E-04 -0.11803E-04 1536 0.221E-02 0.133E-02 DAV: 5 -0.640614479130E+03 -0.19406E-05 -0.20598E-05 1408 0.911E-03 67 F= -.64829274E+03 E0= -.64829274E+03 d E =-.769999E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614653466E+03 -0.17628E-03 -0.47767E-02 1344 0.398E-01 0.555E-02 DAV: 2 -0.640614768655E+03 -0.11519E-03 -0.12925E-03 1472 0.653E-02 0.277E-02 DAV: 3 -0.640614763414E+03 0.52418E-05 -0.19057E-05 1408 0.935E-03 68 F= -.64829309E+03 E0= -.64829309E+03 d E =-.352924E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614124945E+03 0.64371E-03 -0.42557E-01 1312 0.119E+00 0.159E-01 DAV: 2 -0.640615111498E+03 -0.98655E-03 -0.10994E-02 1472 0.191E-01 0.840E-02 DAV: 3 -0.640615062784E+03 0.48715E-04 -0.17550E-04 1664 0.265E-02 0.562E-02 DAV: 4 -0.640615041152E+03 0.21631E-04 -0.17468E-04 1536 0.273E-02 0.170E-02 DAV: 5 -0.640615043747E+03 -0.25942E-05 -0.34861E-05 1536 0.121E-02 69 F= -.64829358E+03 E0= -.64829358E+03 d E =-.839510E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614958815E+03 0.82337E-04 -0.63960E-02 1312 0.459E-01 0.637E-02 DAV: 2 -0.640615110161E+03 -0.15135E-03 -0.16947E-03 1472 0.747E-02 0.312E-02 DAV: 3 -0.640615103806E+03 0.63557E-05 -0.23512E-05 1376 0.102E-02 70 F= -.64829376E+03 E0= -.64829376E+03 d E =-.184951E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614599256E+03 0.51091E-03 -0.18797E-01 1344 0.787E-01 0.105E-01 DAV: 2 -0.640615019929E+03 -0.42067E-03 -0.47102E-03 1440 0.125E-01 0.540E-02 DAV: 3 -0.640615002445E+03 0.17484E-04 -0.71755E-05 1632 0.167E-02 0.363E-02 DAV: 4 -0.640614995717E+03 0.67281E-05 -0.78000E-05 1536 0.183E-02 71 F= -.64829387E+03 E0= -.64829387E+03 d E =-.292443E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640615022633E+03 -0.20188E-04 -0.99710E-03 1472 0.181E-01 0.211E-02 DAV: 2 -0.640615045428E+03 -0.22795E-04 -0.24477E-04 1504 0.291E-02 0.138E-02 DAV: 3 -0.640615044219E+03 0.12090E-05 -0.18735E-06 1088 0.372E-03 72 F= -.64829387E+03 E0= -.64829387E+03 d E =-.291361E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614860679E+03 0.18475E-03 -0.10133E-01 1312 0.581E-01 0.758E-02 DAV: 2 -0.640615100940E+03 -0.24026E-03 -0.26308E-03 1504 0.938E-02 0.394E-02 DAV: 3 -0.640615090743E+03 0.10197E-04 -0.38579E-05 1600 0.124E-02 0.265E-02 DAV: 4 -0.640615087010E+03 0.37337E-05 -0.36334E-05 1440 0.124E-02 73 F= -.64829413E+03 E0= -.64829413E+03 d E =-.257750E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614543348E+03 0.54740E-03 -0.20621E-01 1344 0.829E-01 0.111E-01 DAV: 2 -0.640615018053E+03 -0.47471E-03 -0.52700E-03 1504 0.133E-01 0.554E-02 DAV: 3 -0.640615000210E+03 0.17843E-04 -0.83789E-05 1664 0.181E-02 0.369E-02 DAV: 4 -0.640614994679E+03 0.55311E-05 -0.69091E-05 1536 0.171E-02 74 F= -.64829434E+03 E0= -.64829434E+03 d E =-.473507E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614948078E+03 0.52132E-04 -0.88252E-02 1344 0.548E-01 0.768E-02 DAV: 2 -0.640615156867E+03 -0.20879E-03 -0.23469E-03 1504 0.898E-02 0.381E-02 DAV: 3 -0.640615150140E+03 0.67270E-05 -0.39729E-05 1632 0.126E-02 75 F= -.64829465E+03 E0= -.64829465E+03 d E =-.305693E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614885804E+03 0.27106E-03 -0.88399E-02 1408 0.549E-01 0.752E-02 DAV: 2 -0.640615082822E+03 -0.19702E-03 -0.22220E-03 1536 0.879E-02 0.397E-02 DAV: 3 -0.640615076688E+03 0.61343E-05 -0.40265E-05 1632 0.126E-02 76 F= -.64829473E+03 E0= -.64829473E+03 d E =-.385192E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640615040983E+03 0.41839E-04 -0.23244E-02 1472 0.279E-01 0.393E-02 DAV: 2 -0.640615089158E+03 -0.48175E-04 -0.53926E-04 1536 0.430E-02 0.207E-02 DAV: 3 -0.640615088535E+03 0.62303E-06 -0.84406E-06 1120 0.641E-03 77 F= -.64829484E+03 E0= -.64829484E+03 d E =-.117633E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640614530685E+03 0.55847E-03 -0.21523E-01 1344 0.848E-01 0.115E-01 DAV: 2 -0.640615027712E+03 -0.49703E-03 -0.54329E-03 1440 0.135E-01 0.594E-02 DAV: 3 -0.640615011791E+03 0.15922E-04 -0.89694E-05 1664 0.182E-02 0.398E-02 DAV: 4 -0.640615008752E+03 0.30388E-05 -0.86855E-05 1504 0.183E-02 78 F= -.64829508E+03 E0= -.64829508E+03 d E =-.356737E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640615086384E+03 -0.74593E-04 -0.76183E-03 1504 0.162E-01 0.233E-02 DAV: 2 -0.640615103046E+03 -0.16661E-04 -0.21743E-04 1440 0.268E-02 0.130E-02 DAV: 3 -0.640615101739E+03 0.13069E-05 -0.49445E-06 1120 0.533E-03 79 F= -.64829527E+03 E0= -.64829527E+03 d E =-.186699E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.640615031039E+03 0.72007E-04 -0.12172E-02 1440 0.204E-01 0.266E-02 DAV: 2 -0.640615055317E+03 -0.24278E-04 -0.31923E-04 1536 0.325E-02 0.171E-02 DAV: 3 -0.640615052209E+03 0.31087E-05 -0.72833E-06 1344 0.602E-03 80 F= -.64829534E+03 E0= -.64829534E+03 d E =-.257237E-03