Stage_1/OSZICAR.out output for 592: Bi2WO6_1_opt
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.120081145156E+04 0.12008E+04 -0.10631E+05 10368 0.133E+03
DAV: 2 -0.227797352170E+03 -0.14286E+04 -0.13924E+04 13824 0.294E+02
DAV: 3 -0.310559653734E+03 -0.82762E+02 -0.82346E+02 13824 0.739E+01
DAV: 4 -0.311464617472E+03 -0.90496E+00 -0.90464E+00 11712 0.895E+00
DAV: 5 -0.311484753322E+03 -0.20136E-01 -0.20135E-01 13776 0.117E+00 0.113E+02
RMM: 6 -0.228026363624E+03 0.83458E+02 -0.30241E+02 10383 0.379E+01 0.390E+01
RMM: 7 -0.235091860396E+03 -0.70655E+01 -0.11448E+01 10368 0.956E+00 0.276E+01
RMM: 8 -0.248071836745E+03 -0.12980E+02 -0.85859E+00 10368 0.718E+00 0.113E+01
RMM: 9 -0.257705267457E+03 -0.96334E+01 -0.93868E+00 10368 0.622E+00 0.511E+00
RMM: 10 -0.261955655917E+03 -0.42504E+01 -0.62317E+00 10368 0.481E+00 0.339E+00
RMM: 11 -0.262874605573E+03 -0.91895E+00 -0.17387E+00 10376 0.268E+00 0.157E+00
RMM: 12 -0.262972786679E+03 -0.98181E-01 -0.17529E-01 10381 0.109E+00 0.632E-01
RMM: 13 -0.262981509246E+03 -0.87226E-02 -0.38440E-02 10377 0.385E-01 0.319E-01
RMM: 14 -0.262983516761E+03 -0.20075E-02 -0.71314E-03 10389 0.190E-01 0.156E-01
RMM: 15 -0.262983708850E+03 -0.19209E-03 -0.99547E-04 10571 0.645E-02 0.718E-02
RMM: 16 -0.262983809249E+03 -0.10040E-03 -0.29952E-04 10362 0.411E-02 0.262E-02
RMM: 17 -0.262983828433E+03 -0.19184E-04 -0.45746E-05 8726 0.214E-02 0.111E-02
RMM: 18 -0.262983832232E+03 -0.37995E-05 -0.87233E-06 6614 0.662E-03
1 F= -.26922268E+03 E0= -.26922268E+03 d E =-.269223E+03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.265289913856E+03 -0.23061E+01 -0.70694E+01 11088 0.255E+01 0.136E+01
RMM: 2 -0.263368644260E+03 0.19213E+01 -0.11149E+01 10368 0.794E+00 0.106E+01
RMM: 3 -0.262940442351E+03 0.42820E+00 -0.34675E-01 10368 0.139E+00 0.639E+00
RMM: 4 -0.262880237300E+03 0.60205E-01 -0.23627E-01 10368 0.107E+00 0.715E-01
RMM: 5 -0.262872904931E+03 0.73324E-02 -0.34934E-02 10384 0.428E-01 0.309E-01
RMM: 6 -0.262871790643E+03 0.11143E-02 -0.25991E-03 10368 0.122E-01 0.135E-01
RMM: 7 -0.262871940294E+03 -0.14965E-03 -0.49859E-04 10421 0.502E-02 0.553E-02
RMM: 8 -0.262871942398E+03 -0.21039E-05 -0.96519E-05 10078 0.219E-02
2 F= -.26890056E+03 E0= -.26890056E+03 d E =0.322126E+00 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.264251999707E+03 -0.13801E+01 -0.32687E+01 10368 0.176E+01 0.911E+00
RMM: 2 -0.263355935222E+03 0.89606E+00 -0.51309E+00 10368 0.542E+00 0.689E+00
RMM: 3 -0.263189974097E+03 0.16596E+00 -0.11519E-01 10368 0.855E-01 0.435E+00
RMM: 4 -0.263162716850E+03 0.27257E-01 -0.10638E-01 10368 0.698E-01 0.559E-01
RMM: 5 -0.263158273384E+03 0.44435E-02 -0.97607E-03 10368 0.225E-01 0.154E-01
RMM: 6 -0.263158065463E+03 0.20792E-03 -0.65873E-04 10474 0.620E-02 0.944E-02
RMM: 7 -0.263158135885E+03 -0.70422E-04 -0.34799E-04 10286 0.412E-02 0.403E-02
RMM: 8 -0.263158129390E+03 0.64954E-05 -0.38922E-05 8395 0.148E-02
3 F= -.26932619E+03 E0= -.26932619E+03 d E =-.103510E+00 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263157170087E+03 0.96580E-03 -0.14553E-03 13536 0.117E-01 0.598E-02
RMM: 2 -0.263157133596E+03 0.36491E-04 -0.24038E-04 10368 0.367E-02 0.457E-02
RMM: 3 -0.263157126278E+03 0.73187E-05 -0.50662E-06 5256 0.593E-03
4 F= -.26932620E+03 E0= -.26932620E+03 d E =-.103513E+00 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263215243752E+03 -0.58110E-01 -0.50344E+00 10368 0.649E+00 0.128E+00
RMM: 2 -0.263196828538E+03 0.18415E-01 -0.17962E-01 10368 0.117E+00 0.439E-01
RMM: 3 -0.263192789467E+03 0.40391E-02 -0.65751E-03 10368 0.244E-01 0.602E-01
RMM: 4 -0.263192692215E+03 0.97253E-04 -0.36105E-04 10856 0.397E-02 0.559E-01
RMM: 5 -0.263192617288E+03 0.74927E-04 -0.10594E-03 10368 0.769E-02 0.231E-01
RMM: 6 -0.263192272794E+03 0.34449E-03 -0.54108E-04 10368 0.521E-02 0.788E-02
RMM: 7 -0.263192212778E+03 0.60016E-04 -0.14534E-04 10102 0.271E-02 0.454E-02
RMM: 8 -0.263192206630E+03 0.61481E-05 -0.16090E-05 6708 0.102E-02
5 F= -.26934208E+03 E0= -.26934208E+03 d E =-.158794E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263200663124E+03 -0.84503E-02 -0.46280E-01 10368 0.197E+00 0.388E-01
RMM: 2 -0.263198950913E+03 0.17122E-02 -0.16782E-02 10368 0.355E-01 0.128E-01
RMM: 3 -0.263198582243E+03 0.36867E-03 -0.60379E-04 10368 0.741E-02 0.181E-01
RMM: 4 -0.263198573177E+03 0.90667E-05 -0.28699E-05 7518 0.119E-02
6 F= -.26934266E+03 E0= -.26934266E+03 d E =-.164594E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263225145611E+03 -0.26563E-01 -0.13818E+00 10368 0.344E+00 0.901E-01
RMM: 2 -0.263215318081E+03 0.98275E-02 -0.62318E-02 10368 0.641E-01 0.512E-01
RMM: 3 -0.263213485670E+03 0.18324E-02 -0.19877E-03 10368 0.112E-01 0.218E-01
RMM: 4 -0.263213129641E+03 0.35603E-03 -0.10451E-03 10368 0.705E-02 0.594E-02
RMM: 5 -0.263213108541E+03 0.21100E-04 -0.12183E-04 10304 0.257E-02 0.214E-02
RMM: 6 -0.263213106539E+03 0.20018E-05 -0.16735E-05 6902 0.916E-03
7 F= -.26934600E+03 E0= -.26934600E+03 d E =-.334757E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263212619439E+03 0.48910E-03 -0.28155E-03 13440 0.155E-01 0.390E-02
RMM: 2 -0.263212605893E+03 0.13546E-04 -0.11338E-04 10340 0.276E-02 0.233E-02
RMM: 3 -0.263212602791E+03 0.31020E-05 -0.30734E-06 5286 0.480E-03
8 F= -.26934601E+03 E0= -.26934601E+03 d E =-.335118E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263212684239E+03 -0.78346E-04 -0.63026E-01 10368 0.228E+00 0.162E-01
RMM: 2 -0.263213702252E+03 -0.10180E-02 -0.12887E-02 10368 0.312E-01 0.127E-01
RMM: 3 -0.263213590465E+03 0.11179E-03 -0.24642E-04 10376 0.435E-02 0.873E-02
RMM: 4 -0.263213536585E+03 0.53880E-04 -0.17646E-04 10368 0.300E-02 0.199E-02
RMM: 5 -0.263213537156E+03 -0.57135E-06 -0.17939E-05 6648 0.101E-02
9 F= -.26934944E+03 E0= -.26934944E+03 d E =-.343134E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263211903675E+03 0.16329E-02 -0.50059E-01 10368 0.204E+00 0.144E-01
RMM: 2 -0.263212723763E+03 -0.82009E-03 -0.10343E-02 10368 0.279E-01 0.113E-01
RMM: 3 -0.263212636397E+03 0.87366E-04 -0.19938E-04 10376 0.390E-02 0.773E-02
RMM: 4 -0.263212595602E+03 0.40795E-04 -0.13830E-04 10326 0.266E-02 0.180E-02
RMM: 5 -0.263212596367E+03 -0.76464E-06 -0.14769E-05 6578 0.923E-03
10 F= -.26935072E+03 E0= -.26935072E+03 d E =-.471181E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263212080264E+03 0.51534E-03 -0.28639E-02 12288 0.487E-01 0.360E-02
RMM: 2 -0.263212129863E+03 -0.49599E-04 -0.60288E-04 10368 0.674E-02 0.273E-02
RMM: 3 -0.263212125309E+03 0.45548E-05 -0.98282E-06 6040 0.942E-03
11 F= -.26935078E+03 E0= -.26935078E+03 d E =-.476998E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263214122852E+03 -0.19930E-02 -0.59349E-01 10368 0.223E+00 0.185E-01
RMM: 2 -0.263214956899E+03 -0.83405E-03 -0.13118E-02 10368 0.316E-01 0.168E-01
RMM: 3 -0.263214819720E+03 0.13718E-03 -0.22756E-04 10382 0.432E-02 0.129E-01
RMM: 4 -0.263214727177E+03 0.92543E-04 -0.27371E-04 10368 0.384E-02 0.183E-02
RMM: 5 -0.263214724974E+03 0.22030E-05 -0.21660E-05 7026 0.106E-02
12 F= -.26935260E+03 E0= -.26935260E+03 d E =-.182349E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263215164699E+03 -0.43752E-03 -0.12880E-01 10368 0.104E+00 0.876E-02
RMM: 2 -0.263215355744E+03 -0.19105E-03 -0.29535E-03 10368 0.150E-01 0.780E-02
RMM: 3 -0.263215326175E+03 0.29569E-04 -0.49177E-05 8380 0.205E-02 0.615E-02
RMM: 4 -0.263215307237E+03 0.18938E-04 -0.57664E-05 9434 0.182E-02 0.782E-03
RMM: 5 -0.263215307085E+03 0.15292E-06 -0.51996E-06 6156 0.581E-03
13 F= -.26935282E+03 E0= -.26935282E+03 d E =-.204595E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263216363253E+03 -0.10560E-02 -0.55074E-01 10368 0.215E+00 0.132E-01
RMM: 2 -0.263217342427E+03 -0.97917E-03 -0.11770E-02 10368 0.301E-01 0.896E-02
RMM: 3 -0.263217241373E+03 0.10105E-03 -0.23244E-04 10384 0.426E-02 0.566E-02
RMM: 4 -0.263217194707E+03 0.46666E-04 -0.94274E-05 9792 0.220E-02 0.213E-02
RMM: 5 -0.263217192826E+03 0.18810E-05 -0.26128E-05 7010 0.126E-02
14 F= -.26935425E+03 E0= -.26935425E+03 d E =-.142279E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263217401538E+03 -0.20683E-03 -0.20278E-01 10368 0.130E+00 0.813E-02
RMM: 2 -0.263217767324E+03 -0.36579E-03 -0.43868E-03 10368 0.184E-01 0.551E-02
RMM: 3 -0.263217730236E+03 0.37087E-04 -0.86593E-05 10118 0.260E-02 0.348E-02
RMM: 4 -0.263217713120E+03 0.17116E-04 -0.33854E-05 8252 0.135E-02 0.132E-02
RMM: 5 -0.263217712495E+03 0.62549E-06 -0.10274E-05 6378 0.824E-03
15 F= -.26935449E+03 E0= -.26935449E+03 d E =-.166325E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263216227823E+03 0.14853E-02 -0.65035E-01 10368 0.235E+00 0.229E-01
RMM: 2 -0.263217061298E+03 -0.83347E-03 -0.14975E-02 10368 0.342E-01 0.226E-01
RMM: 3 -0.263216896587E+03 0.16471E-03 -0.26810E-04 10426 0.478E-02 0.177E-01
RMM: 4 -0.263216786319E+03 0.11027E-03 -0.36400E-04 10368 0.442E-02 0.207E-02
RMM: 5 -0.263216783552E+03 0.27673E-05 -0.32928E-05 7694 0.126E-02
16 F= -.26935518E+03 E0= -.26935518E+03 d E =-.695960E-03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263217077616E+03 -0.29130E-03 -0.19407E-02 10752 0.404E-01 0.400E-02
RMM: 2 -0.263217095675E+03 -0.18060E-04 -0.40545E-04 10368 0.566E-02 0.405E-02
RMM: 3 -0.263217090276E+03 0.53993E-05 -0.61290E-06 5478 0.784E-03
17 F= -.26935521E+03 E0= -.26935521E+03 d E =-.720029E-03 mag= 0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263217925779E+03 -0.83010E-03 -0.27150E-01 10368 0.153E+00 0.994E-02
RMM: 2 -0.263218404935E+03 -0.47916E-03 -0.59417E-03 10368 0.220E-01 0.545E-02
RMM: 3 -0.263218356818E+03 0.48117E-04 -0.10357E-04 10194 0.303E-02 0.404E-02
RMM: 4 -0.263218336400E+03 0.20418E-04 -0.36007E-05 8294 0.141E-02 0.164E-02
RMM: 5 -0.263218333867E+03 0.25338E-05 -0.12328E-05 6090 0.905E-03
18 F= -.26935587E+03 E0= -.26935587E+03 d E =-.662650E-03 mag= 0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263217835988E+03 0.50041E-03 -0.18023E+00 10368 0.395E+00 0.261E-01
RMM: 2 -0.263220966922E+03 -0.31309E-02 -0.38880E-02 10368 0.563E-01 0.136E-01
RMM: 3 -0.263220660780E+03 0.30614E-03 -0.70294E-04 10472 0.781E-02 0.997E-02
RMM: 4 -0.263220538876E+03 0.12190E-03 -0.22549E-04 10368 0.346E-02 0.431E-02
RMM: 5 -0.263220522625E+03 0.16251E-04 -0.87705E-05 10190 0.217E-02 0.120E-02
RMM: 6 -0.263220521567E+03 0.10583E-05 -0.33077E-06 6422 0.455E-03
19 F= -.26935656E+03 E0= -.26935656E+03 d E =-.135412E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263221695829E+03 -0.11732E-02 -0.11785E-01 10368 0.100E+00 0.928E-02
RMM: 2 -0.263221854278E+03 -0.15845E-03 -0.25833E-03 10368 0.142E-01 0.675E-02
RMM: 3 -0.263221824659E+03 0.29618E-04 -0.55434E-05 9182 0.205E-02 0.374E-02
RMM: 4 -0.263221811449E+03 0.13210E-04 -0.28224E-05 7182 0.129E-02 0.978E-03
RMM: 5 -0.263221810757E+03 0.69174E-06 -0.46156E-06 5828 0.595E-03
20 F= -.26935694E+03 E0= -.26935694E+03 d E =-.377541E-03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263223180942E+03 -0.13695E-02 -0.29905E-01 10368 0.159E+00 0.149E-01
RMM: 2 -0.263223586328E+03 -0.40539E-03 -0.65154E-03 10368 0.225E-01 0.108E-01
RMM: 3 -0.263223513990E+03 0.72338E-04 -0.14318E-04 10304 0.326E-02 0.612E-02
RMM: 4 -0.263223483394E+03 0.30596E-04 -0.73668E-05 9980 0.196E-02 0.161E-02
RMM: 5 -0.263223481463E+03 0.19303E-05 -0.83186E-06 6476 0.707E-03
21 F= -.26935716E+03 E0= -.26935716E+03 d E =-.595090E-03 mag= 0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263223148750E+03 0.33464E-03 -0.30000E-02 10368 0.504E-01 0.393E-02
RMM: 2 -0.263223190111E+03 -0.41360E-04 -0.65401E-04 10368 0.711E-02 0.192E-02
RMM: 3 -0.263223183993E+03 0.61174E-05 -0.11448E-05 6370 0.106E-02
22 F= -.26935733E+03 E0= -.26935733E+03 d E =-.179511E-03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263221759394E+03 0.14307E-02 -0.26867E-01 10368 0.151E+00 0.120E-01
RMM: 2 -0.263222098983E+03 -0.33959E-03 -0.57609E-03 10368 0.211E-01 0.624E-02
RMM: 3 -0.263222040639E+03 0.58344E-04 -0.12208E-04 10100 0.317E-02 0.511E-02
RMM: 4 -0.263222025850E+03 0.14790E-04 -0.22953E-05 7054 0.114E-02 0.336E-02
RMM: 5 -0.263222022652E+03 0.31979E-05 -0.13416E-05 6534 0.934E-03
23 F= -.26935761E+03 E0= -.26935761E+03 d E =-.450319E-03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263221743454E+03 0.28240E-03 -0.99342E-03 10752 0.289E-01 0.233E-02
RMM: 2 -0.263221757209E+03 -0.13755E-04 -0.21630E-04 10362 0.410E-02 0.113E-02
RMM: 3 -0.263221755191E+03 0.20182E-05 -0.38879E-06 5666 0.616E-03
24 F= -.26935761E+03 E0= -.26935761E+03 d E =-.458370E-03 mag= 0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.263221523052E+03 0.23416E-03 -0.47603E-02 10368 0.631E-01 0.540E-02
RMM: 2 -0.263221587337E+03 -0.64285E-04 -0.10203E-03 10368 0.887E-02 0.356E-02
RMM: 3 -0.263221577034E+03 0.10304E-04 -0.19442E-05 6918 0.129E-02 0.198E-02
RMM: 4 -0.263221573792E+03 0.32420E-05 -0.11327E-05 6198 0.892E-03
25 F= -.26935779E+03 E0= -.26935779E+03 d E =-.174110E-03 mag= -0.0000