N E dE d eps ncg rms rms(c)
DAV: 1 0.603723256610E+03 0.60372E+03 -0.54196E+04 6656 0.668E+02
DAV: 2 -0.989001021083E+02 -0.70262E+03 -0.69210E+03 9600 0.185E+02
DAV: 3 -0.139240285689E+03 -0.40340E+02 -0.40277E+02 12992 0.402E+01
DAV: 4 -0.139607080864E+03 -0.36680E+00 -0.36676E+00 9216 0.358E+00
DAV: 5 -0.139613484674E+03 -0.64038E-02 -0.64037E-02 11200 0.364E-01 0.312E+01
DAV: 6 -0.127708586098E+03 0.11905E+02 -0.32719E+01 8128 0.113E+01 0.160E+01
DAV: 7 -0.127741882930E+03 -0.33297E-01 -0.26613E+00 11328 0.327E+00 0.874E+00
DAV: 8 -0.127809164143E+03 -0.67281E-01 -0.83663E-01 7872 0.190E+00 0.153E+00
DAV: 9 -0.127756247561E+03 0.52917E-01 -0.29844E-01 9728 0.109E+00 0.486E-01
DAV: 10 -0.127756606881E+03 -0.35932E-03 -0.18367E-02 8960 0.313E-01 0.221E-01
DAV: 11 -0.127758627490E+03 -0.20206E-02 -0.29458E-03 9792 0.144E-01 0.135E-01
DAV: 12 -0.127758545129E+03 0.82361E-04 -0.62374E-04 9856 0.562E-02 0.411E-02
DAV: 13 -0.127758593192E+03 -0.48063E-04 -0.58994E-05 9856 0.172E-02 0.253E-02
DAV: 14 -0.127758596493E+03 -0.33011E-05 -0.22793E-05 10048 0.110E-02 0.479E-03
DAV: 15 -0.127758597705E+03 -0.12116E-05 -0.33325E-06 10816 0.385E-03 0.445E-03
DAV: 16 -0.127758597670E+03 0.35003E-07 -0.13162E-06 8064 0.258E-03
1 F= -.12775860E+03 E0= -.12775860E+03 d E =-.278153E-21
Linear response reoptimize wavefunctions
DAV: 1 -0.127758597711E+03 -0.41604E-07 -0.14379E-07 9920 0.872E-04
DAV: 2 -0.127758597712E+03 -0.41109E-09 -0.23826E-09 7168 0.123E-04
DAV: 3 -0.127758597712E+03 0.63665E-10 -0.22342E-10 8000 0.322E-05
Linear response G [H, r] |phi>, progress :
Direction: 1
N E dE d eps ncg rms
RMM: 1 -0.653601322494E+03 -0.65360E+03 0.37803E+03 16220 0.130E+02
RMM: 2 -0.598527847621E+03 0.55073E+02 -0.18682E+02 13718 0.285E+01
RMM: 3 -0.606163030681E+03 -0.76352E+01 -0.39932E+01 17125 0.953E+00
RMM: 4 -0.607533860726E+03 -0.13708E+01 -0.10607E+01 17990 0.406E+00
RMM: 5 -0.607840473017E+03 -0.30661E+00 -0.19562E+00 17967 0.167E+00
RMM: 6 -0.607891506593E+03 -0.51034E-01 -0.34871E-01 18106 0.719E-01
RMM: 7 -0.607911507304E+03 -0.20001E-01 -0.89745E-02 18107 0.316E-01
RMM: 8 -0.607913679642E+03 -0.21723E-02 0.13922E-02 18343 0.148E-01
RMM: 9 -0.607913623885E+03 0.55757E-04 -0.19930E-02 18501 0.761E-02
RMM: 10 -0.607913860053E+03 -0.23617E-03 -0.83905E-03 18649 0.424E-02
RMM: 11 -0.607913636779E+03 0.22327E-03 -0.12279E-02 18802 0.267E-02
RMM: 12 -0.607914305798E+03 -0.66902E-03 -0.13285E-02 18729 0.190E-02
RMM: 13 -0.607914659413E+03 -0.35361E-03 -0.15807E-02 18743 0.155E-02
RMM: 14 -0.607914368593E+03 0.29082E-03 -0.14694E-02 18698 0.138E-02
RMM: 15 -0.607912879080E+03 0.14895E-02 0.14532E-03 18711 0.130E-02
RMM: 16 -0.607914401737E+03 -0.15227E-02 -0.15279E-02 18662 0.126E-02
Linear response G [H, r] |phi>, progress :
Direction: 2
N E dE d eps ncg rms
RMM: 1 -0.641842903927E+03 -0.64184E+03 0.38768E+03 16177 0.129E+02
RMM: 2 -0.597981441948E+03 0.43861E+02 -0.18161E+02 13646 0.276E+01
RMM: 3 -0.605717683173E+03 -0.77362E+01 -0.41007E+01 16836 0.946E+00
RMM: 4 -0.607078142890E+03 -0.13605E+01 -0.10666E+01 17904 0.395E+00
RMM: 5 -0.607349299801E+03 -0.27116E+00 -0.17912E+00 18015 0.156E+00
RMM: 6 -0.607392258039E+03 -0.42958E-01 -0.34984E-01 18132 0.645E-01
RMM: 7 -0.607399828558E+03 -0.75705E-02 -0.43917E-02 18149 0.279E-01
RMM: 8 -0.607401010765E+03 -0.11822E-02 -0.96001E-03 18350 0.130E-01
RMM: 9 -0.607401453440E+03 -0.44268E-03 -0.31317E-03 18495 0.667E-02
RMM: 10 -0.607401532768E+03 -0.79327E-04 -0.29701E-03 18648 0.369E-02
RMM: 11 -0.607401478416E+03 0.54351E-04 0.75733E-03 18875 0.231E-02
RMM: 12 -0.607401604990E+03 -0.12657E-03 0.61370E-03 18739 0.162E-02
RMM: 13 -0.607401424365E+03 0.18062E-03 0.47509E-03 18806 0.130E-02
RMM: 14 -0.607401612173E+03 -0.18781E-03 0.25979E-03 18708 0.115E-02
RMM: 15 -0.607401411182E+03 0.20099E-03 0.47308E-03 18692 0.107E-02
RMM: 16 -0.607401614720E+03 -0.20354E-03 0.19421E-03 18598 0.104E-02
RMM: 17 -0.607401483519E+03 0.13120E-03 0.39802E-03 18540 0.102E-02
Linear response G [H, r] |phi>, progress :
Direction: 3
N E dE d eps ncg rms
RMM: 1 -0.652365274541E+03 -0.65237E+03 0.37989E+03 16273 0.131E+02
RMM: 2 -0.597787809234E+03 0.54577E+02 -0.18655E+02 13784 0.281E+01
RMM: 3 -0.605363592157E+03 -0.75758E+01 -0.39789E+01 17035 0.943E+00
RMM: 4 -0.606657269816E+03 -0.12937E+01 -0.99135E+00 18015 0.399E+00
RMM: 5 -0.607017867593E+03 -0.36060E+00 -0.19005E+00 18033 0.164E+00
RMM: 6 -0.607056298724E+03 -0.38431E-01 -0.26392E-01 18148 0.695E-01
RMM: 7 -0.607082054401E+03 -0.25756E-01 -0.46440E-02 18085 0.303E-01
RMM: 8 -0.607097089820E+03 -0.15035E-01 -0.16283E-01 18299 0.142E-01
RMM: 9 -0.607074054676E+03 0.23035E-01 0.16111E-01 18497 0.732E-02
RMM: 10 -0.607087035086E+03 -0.12980E-01 -0.17796E-02 18654 0.406E-02
RMM: 11 -0.607086073519E+03 0.96157E-03 0.12003E-02 18787 0.255E-02
RMM: 12 -0.607085117185E+03 0.95633E-03 0.13711E-02 18729 0.181E-02
RMM: 13 -0.607086374009E+03 -0.12568E-02 0.87488E-03 18754 0.147E-02
RMM: 14 -0.607085133141E+03 0.12409E-02 0.21907E-02 18670 0.131E-02
RMM: 15 -0.607085376187E+03 -0.24305E-03 0.18747E-02 18686 0.123E-02
RMM: 16 -0.607086191177E+03 -0.81499E-03 0.94420E-03 18552 0.119E-02
Linear response to external field (no local field effect), progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117960543127E+02 -0.11796E+02 -0.67545E+01 16156 0.515E+00
RMM: 2 -0.134198009556E+02 -0.16237E+01 -0.82038E-01 15420 0.130E+00
RMM: 3 -0.134745514978E+02 -0.54751E-01 -0.20976E-01 18183 0.473E-01
RMM: 4 -0.134817072170E+02 -0.71557E-02 -0.34447E-02 18531 0.182E-01
RMM: 5 -0.134828340047E+02 -0.11268E-02 -0.63092E-03 18616 0.746E-02
RMM: 6 -0.134830194475E+02 -0.18544E-03 -0.11016E-03 18546 0.330E-02
RMM: 7 -0.134830530489E+02 -0.33601E-04 -0.67540E-04 18394 0.156E-02
RMM: 8 -0.134830602641E+02 -0.72152E-05 -0.63621E-06 18136 0.770E-03
RMM: 9 -0.134830622778E+02 -0.20137E-05 -0.19917E-04 17974 0.397E-03
RMM: 10 -0.134830627870E+02 -0.50915E-06 0.12544E-05 17688 0.214E-03
RMM: 11 -0.134830629333E+02 -0.14629E-06 -0.57027E-05 16982 0.124E-03
RMM: 12 -0.134830629740E+02 -0.40684E-07 0.75472E-06 15872 0.804E-04
Linear response to external field (no local field effect), progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117697871341E+02 -0.11770E+02 -0.67488E+01 16115 0.510E+00
RMM: 2 -0.131437710362E+02 -0.13740E+01 -0.90950E-01 15246 0.127E+00
RMM: 3 -0.131903793351E+02 -0.46608E-01 -0.18204E-01 17933 0.442E-01
RMM: 4 -0.131971565634E+02 -0.67772E-02 -0.30767E-02 18446 0.171E-01
RMM: 5 -0.131981030324E+02 -0.94647E-03 -0.56422E-03 18542 0.703E-02
RMM: 6 -0.131982856307E+02 -0.18260E-03 -0.10322E-03 18489 0.316E-02
RMM: 7 -0.131983202561E+02 -0.34625E-04 -0.90807E-04 18366 0.149E-02
RMM: 8 -0.131983285452E+02 -0.82891E-05 0.17872E-06 18013 0.738E-03
RMM: 9 -0.131983307028E+02 -0.21577E-05 -0.26901E-04 17754 0.381E-03
RMM: 10 -0.131983313402E+02 -0.63737E-06 0.80698E-06 17370 0.205E-03
Linear response to external field (no local field effect), progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114318768590E+02 -0.11432E+02 -0.64579E+01 16153 0.514E+00
RMM: 2 -0.129887388345E+02 -0.15569E+01 -0.81397E-01 15388 0.130E+00
RMM: 3 -0.130401526604E+02 -0.51414E-01 -0.18373E-01 18165 0.463E-01
RMM: 4 -0.130468086291E+02 -0.66560E-02 -0.30458E-02 18547 0.180E-01
RMM: 5 -0.130478447329E+02 -0.10361E-02 -0.56434E-03 18627 0.734E-02
RMM: 6 -0.130480147091E+02 -0.16998E-03 -0.10322E-03 18571 0.329E-02
RMM: 7 -0.130480461486E+02 -0.31439E-04 -0.78974E-04 18417 0.156E-02
RMM: 8 -0.130480535967E+02 -0.74481E-05 -0.24769E-05 18063 0.777E-03
RMM: 9 -0.130480555665E+02 -0.19698E-05 -0.20957E-04 17886 0.400E-03
RMM: 10 -0.130480561004E+02 -0.53394E-06 0.14096E-05 17693 0.214E-03
RMM: 11 -0.130480562350E+02 -0.13459E-06 -0.65965E-05 17156 0.123E-03
RMM: 12 -0.130480562793E+02 -0.44251E-07 0.71080E-06 15968 0.787E-04
Linear response to external field, progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117960543127E+02 -0.11796E+02 -0.67545E+01 16156 0.515E+00
RMM: 2 -0.134198009556E+02 -0.16237E+01 -0.82038E-01 15420 0.130E+00 0.602E+00
RMM: 3 -0.125588186933E+02 0.86098E+00 -0.17244E+00 14986 0.184E+00 0.302E+00
RMM: 4 -0.122238208936E+02 0.33500E+00 -0.90619E-01 15274 0.145E+00 0.104E+00
RMM: 5 -0.121177983911E+02 0.10602E+00 -0.49950E-02 15079 0.457E-01 0.226E-01
RMM: 6 -0.121030764962E+02 0.14722E-01 -0.10865E-02 17151 0.182E-01 0.125E-01
RMM: 7 -0.120866507000E+02 0.16426E-01 0.53763E-04 16638 0.934E-02 0.586E-02
RMM: 8 -0.120854332230E+02 0.12175E-02 0.33505E-03 17804 0.422E-02 0.132E-02
RMM: 9 -0.120839495556E+02 0.14837E-02 0.63681E-03 17938 0.204E-02 0.557E-03
RMM: 10 -0.120844992356E+02 -0.54968E-03 -0.66113E-04 18419 0.105E-02 0.456E-03
RMM: 11 -0.120837220323E+02 0.77720E-03 0.65647E-03 18553 0.604E-03 0.129E-03
RMM: 12 -0.120843063827E+02 -0.58435E-03 0.72083E-04 18444 0.396E-03 0.750E-04
RMM: 13 -0.120839798903E+02 0.32649E-03 0.40738E-03 18487 0.291E-03 0.269E-04
RMM: 14 -0.120842188065E+02 -0.23892E-03 0.16915E-03 18013 0.244E-03 0.201E-04
RMM: 15 -0.120841425381E+02 0.76268E-04 0.24584E-03 16943 0.222E-03 0.872E-05
RMM: 16 -0.120840456772E+02 0.96861E-04 0.34554E-03 15944 0.213E-03 0.611E-05
RMM: 17 -0.120845490632E+02 -0.50339E-03 -0.15781E-03 15478 0.210E-03 0.381E-05
RMM: 18 -0.120840174059E+02 0.53166E-03 0.37467E-03 15182 0.208E-03 0.184E-05
RMM: 19 -0.120842414128E+02 -0.22401E-03 0.15187E-03 14885 0.207E-03 0.321E-05
RMM: 20 -0.120840112357E+02 0.23018E-03 0.38549E-03 14588 0.207E-03 0.209E-05
RMM: 21 -0.120842695135E+02 -0.25828E-03 0.12649E-03 14421 0.207E-03 0.320E-05
RMM: 22 -0.120841907151E+02 0.78798E-04 0.20646E-03 14298 0.207E-03 0.274E-05
RMM: 23 -0.120841442498E+02 0.46465E-04 0.25192E-03 14151 0.207E-03 0.315E-05
RMM: 24 -0.120842239915E+02 -0.79742E-04 0.17187E-03 14018 0.207E-03 0.285E-05
RMM: 25 -0.120841198730E+02 0.10412E-03 0.27530E-03 13931 0.206E-03 0.316E-05
RMM: 26 -0.120842524978E+02 -0.13262E-03 0.14332E-03 13853 0.206E-03 0.288E-05
Linear response to external field, progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117697871341E+02 -0.11770E+02 -0.67488E+01 16115 0.510E+00
RMM: 2 -0.131437710362E+02 -0.13740E+01 -0.90950E-01 15246 0.127E+00 0.603E+00
RMM: 3 -0.122404005969E+02 0.90337E+00 -0.17329E+00 14975 0.184E+00 0.302E+00
RMM: 4 -0.119060520525E+02 0.33435E+00 -0.83574E-01 15167 0.141E+00 0.106E+00
RMM: 5 -0.118170074702E+02 0.89045E-01 -0.48213E-02 15248 0.429E-01 0.347E-01
RMM: 6 -0.117814318545E+02 0.35576E-01 -0.14151E-02 16650 0.188E-01 0.158E-01
RMM: 7 -0.117697121765E+02 0.11720E-01 -0.34467E-03 17006 0.884E-02 0.683E-02
RMM: 8 -0.117618327068E+02 0.78795E-02 -0.10722E-03 17047 0.449E-02 0.242E-02
RMM: 9 -0.117608297834E+02 0.10029E-02 -0.86249E-04 18167 0.218E-02 0.701E-03
RMM: 10 -0.117604652295E+02 0.36455E-03 -0.28728E-04 18411 0.110E-02 0.327E-03
RMM: 11 -0.117603835029E+02 0.81727E-04 -0.57831E-04 18677 0.616E-03 0.317E-03
RMM: 12 -0.117604339728E+02 -0.50470E-04 -0.91328E-04 18541 0.400E-03 0.424E-04
RMM: 13 -0.117604347232E+02 -0.75041E-06 -0.12565E-03 18666 0.291E-03 0.469E-04
RMM: 14 -0.117604344111E+02 0.31211E-06 -0.12998E-03 18104 0.240E-03 0.124E-04
RMM: 15 -0.117604346487E+02 -0.23755E-06 -0.13265E-03 17218 0.217E-03 0.894E-05
RMM: 16 -0.117604378509E+02 -0.32022E-05 -0.13083E-03 16216 0.206E-03 0.460E-05
RMM: 17 -0.117604365018E+02 0.13491E-05 -0.13084E-03 15698 0.202E-03 0.352E-05
RMM: 18 -0.117604372384E+02 -0.73656E-06 -0.12981E-03 15339 0.200E-03 0.141E-05
RMM: 19 -0.117604362413E+02 0.99706E-06 -0.13057E-03 15133 0.200E-03 0.251E-05
RMM: 20 -0.117604370802E+02 -0.83892E-06 -0.13107E-03 14842 0.199E-03 0.125E-05
RMM: 21 -0.117604361889E+02 0.89138E-06 -0.13127E-03 14610 0.199E-03 0.163E-05
RMM: 22 -0.117604372547E+02 -0.10659E-05 -0.13028E-03 14463 0.199E-03 0.123E-05
RMM: 23 -0.117604362944E+02 0.96032E-06 -0.13113E-03 14390 0.199E-03 0.139E-05
RMM: 24 -0.117604371099E+02 -0.81545E-06 -0.13032E-03 14288 0.199E-03 0.124E-05
RMM: 25 -0.117604362574E+02 0.85252E-06 -0.13086E-03 14150 0.199E-03 0.120E-05
RMM: 26 -0.117604371010E+02 -0.84370E-06 -0.13043E-03 14056 0.199E-03 0.119E-05
Linear response to external field, progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114318768590E+02 -0.11432E+02 -0.64579E+01 16153 0.514E+00
RMM: 2 -0.129887388345E+02 -0.15569E+01 -0.81397E-01 15388 0.130E+00 0.604E+00
RMM: 3 -0.120160411915E+02 0.97270E+00 -0.18220E+00 14955 0.188E+00 0.300E+00
RMM: 4 -0.116874633950E+02 0.32858E+00 -0.82450E-01 15377 0.139E+00 0.111E+00
RMM: 5 -0.115919631381E+02 0.95500E-01 -0.47689E-02 15331 0.432E-01 0.394E-01
RMM: 6 -0.115526779778E+02 0.39285E-01 -0.13300E-02 16602 0.191E-01 0.167E-01
RMM: 7 -0.115390645323E+02 0.13613E-01 -0.36330E-03 16856 0.919E-02 0.744E-02
RMM: 8 -0.115332973958E+02 0.57671E-02 -0.11612E-03 17467 0.441E-02 0.201E-02
RMM: 9 -0.115312099743E+02 0.20874E-02 -0.41753E-04 17853 0.217E-02 0.546E-03
RMM: 10 -0.115311814366E+02 0.28538E-04 -0.36794E-04 18379 0.105E-02 0.371E-03
RMM: 11 -0.115311438913E+02 0.37545E-04 -0.14747E-04 18595 0.551E-03 0.198E-03
RMM: 12 -0.115311959141E+02 -0.52023E-04 -0.25019E-04 18073 0.353E-03 0.565E-04
RMM: 13 -0.115312156772E+02 -0.19763E-04 -0.20121E-04 18574 0.234E-03 0.343E-04
RMM: 14 -0.115312134915E+02 0.21857E-05 -0.19309E-04 18220 0.178E-03 0.162E-04
RMM: 15 -0.115312108708E+02 0.26207E-05 -0.19265E-04 17145 0.152E-03 0.695E-05
RMM: 16 -0.115312146429E+02 -0.37721E-05 -0.21912E-04 15988 0.141E-03 0.561E-05
RMM: 17 -0.115312128384E+02 0.18045E-05 -0.23509E-04 15444 0.137E-03 0.388E-05
RMM: 18 -0.115312111077E+02 0.17308E-05 -0.19578E-04 15189 0.136E-03 0.106E-05
RMM: 19 -0.115312136356E+02 -0.25279E-05 -0.18441E-04 14882 0.135E-03 0.230E-05
RMM: 20 -0.115312121830E+02 0.14526E-05 -0.15269E-04 14576 0.135E-03 0.119E-05
RMM: 21 -0.115312139628E+02 -0.17799E-05 -0.20885E-04 14462 0.134E-03 0.195E-05
RMM: 22 -0.115312124180E+02 0.15449E-05 -0.16812E-04 14331 0.134E-03 0.113E-05
RMM: 23 -0.115312117233E+02 0.69468E-06 -0.19313E-04 14176 0.134E-03 0.180E-05
RMM: 24 -0.115312137850E+02 -0.20617E-05 -0.21070E-04 14124 0.134E-03 0.115E-05
RMM: 25 -0.115312111765E+02 0.26085E-05 -0.19609E-04 14048 0.134E-03 0.172E-05
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