Stage_1/OSZICAR.out output for 1003: Bulk_VBiO4_opt
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.285582704826E+04 0.28558E+04 -0.91317E+04 7728 0.153E+03
DAV: 2 0.293466428756E+03 -0.25624E+04 -0.23842E+04 7944 0.486E+02
DAV: 3 -0.181938276907E+03 -0.47540E+03 -0.43545E+03 8344 0.214E+02
DAV: 4 -0.220901971803E+03 -0.38964E+02 -0.38144E+02 8880 0.642E+01
DAV: 5 -0.222478370379E+03 -0.15764E+01 -0.15645E+01 9728 0.137E+01 0.994E+01
RMM: 6 -0.192721937929E+03 0.29756E+02 -0.30590E+02 8206 0.500E+01 0.506E+01
RMM: 7 -0.190446025009E+03 0.22759E+01 -0.74103E+01 7706 0.302E+01 0.558E+01
RMM: 8 -0.181112730717E+03 0.93333E+01 -0.14159E+01 8595 0.117E+01 0.223E+01
RMM: 9 -0.177891633475E+03 0.32211E+01 -0.90424E+00 8064 0.908E+00 0.558E+00
RMM: 10 -0.178029794400E+03 -0.13816E+00 -0.13350E+00 9888 0.291E+00 0.295E+00
RMM: 11 -0.178177595300E+03 -0.14780E+00 -0.61104E-01 7986 0.220E+00 0.115E+00
RMM: 12 -0.178187092514E+03 -0.94972E-02 -0.10627E-01 9079 0.110E+00 0.532E-01
RMM: 13 -0.178191232824E+03 -0.41403E-02 -0.46133E-02 9272 0.608E-01 0.178E-01
RMM: 14 -0.178192800640E+03 -0.15678E-02 -0.94692E-03 10632 0.268E-01 0.101E-01
RMM: 15 -0.178193184648E+03 -0.38401E-03 -0.36742E-03 8761 0.157E-01 0.101E-01
RMM: 16 -0.178193094030E+03 0.90618E-04 -0.64833E-04 9504 0.877E-02 0.218E-02
RMM: 17 -0.178193105162E+03 -0.11132E-04 -0.24663E-04 9354 0.453E-02 0.116E-02
RMM: 18 -0.178193105817E+03 -0.65499E-06 -0.52246E-05 9820 0.235E-02 0.934E-03
RMM: 19 -0.178193106650E+03 -0.83323E-06 -0.15423E-05 10682 0.105E-02 0.311E-03
RMM: 20 -0.178193107065E+03 -0.41462E-06 -0.21254E-06 11123 0.388E-03 0.226E-03
RMM: 21 -0.178193107190E+03 -0.12510E-06 -0.26510E-07 9776 0.149E-03 0.213E-03
RMM: 22 -0.178193107250E+03 -0.60296E-07 -0.55140E-08 7361 0.739E-04 0.211E-03
RMM: 23 -0.178193107275E+03 -0.24305E-07 -0.13897E-08 4716 0.424E-04 0.205E-03
RMM: 24 -0.178193107275E+03 -0.61846E-10 -0.70963E-09 4779 0.334E-04
1 F= -.18371838E+03 E0= -.18371838E+03 d E =-.183718E+03 mag= 0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181383017126E+03 -0.31899E+01 -0.85981E+01 9760 0.490E+01 0.213E+01
RMM: 2 -0.179016357361E+03 0.23667E+01 -0.91033E+00 7701 0.124E+01 0.101E+01
RMM: 3 -0.178621266600E+03 0.39509E+00 -0.43310E+00 7721 0.727E+00 0.108E+01
RMM: 4 -0.177891261708E+03 0.73000E+00 -0.14635E+00 7848 0.514E+00 0.118E+00
RMM: 5 -0.177878634715E+03 0.12627E-01 -0.18906E-01 9076 0.146E+00 0.999E-01
RMM: 6 -0.177876493075E+03 0.21416E-02 -0.42996E-02 9842 0.755E-01 0.160E-01
RMM: 7 -0.177877668384E+03 -0.11753E-02 -0.10947E-02 10579 0.361E-01 0.134E-01
RMM: 8 -0.177877400616E+03 0.26777E-03 -0.25016E-03 8571 0.182E-01 0.416E-02
RMM: 9 -0.177877425597E+03 -0.24981E-04 -0.49061E-04 10224 0.842E-02 0.132E-02
RMM: 10 -0.177877431374E+03 -0.57772E-05 -0.11092E-04 10054 0.355E-02 0.628E-03
RMM: 11 -0.177877432388E+03 -0.10136E-05 -0.16215E-05 10027 0.155E-02 0.391E-03
RMM: 12 -0.177877432551E+03 -0.16274E-06 -0.41997E-06 9688 0.716E-03 0.240E-03
RMM: 13 -0.177877432826E+03 -0.27492E-06 -0.83751E-07 10069 0.354E-03 0.202E-03
RMM: 14 -0.177877432850E+03 -0.24171E-07 -0.30600E-07 7411 0.157E-03 0.187E-03
RMM: 15 -0.177877432822E+03 0.28045E-07 -0.24713E-08 5074 0.531E-04 0.186E-03
RMM: 16 -0.177877432835E+03 -0.12958E-07 -0.11027E-08 4921 0.447E-04 0.185E-03
RMM: 17 -0.177877432828E+03 0.69122E-08 -0.72963E-09 5018 0.309E-04
2 F= -.18364111E+03 E0= -.18364111E+03 d E =0.772713E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179457962287E+03 -0.15805E+01 -0.32238E+01 9792 0.314E+01 0.132E+01
RMM: 2 -0.178849877097E+03 0.60809E+00 -0.33591E+00 7730 0.767E+00 0.787E+00
RMM: 3 -0.178392936000E+03 0.45694E+00 -0.17690E+00 7782 0.475E+00 0.631E+00
RMM: 4 -0.178161608400E+03 0.23133E+00 -0.60787E-01 7790 0.328E+00 0.584E-01
RMM: 5 -0.178157992186E+03 0.36162E-02 -0.62811E-02 9308 0.914E-01 0.405E-01
RMM: 6 -0.178158811403E+03 -0.81922E-03 -0.22469E-02 10357 0.485E-01 0.180E-01
RMM: 7 -0.178158774830E+03 0.36574E-04 -0.22794E-03 8499 0.217E-01 0.400E-02
RMM: 8 -0.178158829238E+03 -0.54409E-04 -0.82796E-04 10807 0.115E-01 0.283E-02
RMM: 9 -0.178158840893E+03 -0.11655E-04 -0.12452E-04 9022 0.479E-02 0.179E-02
RMM: 10 -0.178158839698E+03 0.11949E-05 -0.46340E-05 9163 0.288E-02 0.493E-03
RMM: 11 -0.178158839738E+03 -0.40189E-07 -0.10477E-05 10426 0.125E-02 0.308E-03
RMM: 12 -0.178158839597E+03 0.14089E-06 -0.24086E-06 9593 0.575E-03 0.242E-03
RMM: 13 -0.178158839280E+03 0.31748E-06 -0.30529E-07 9619 0.164E-03 0.203E-03
RMM: 14 -0.178158839352E+03 -0.71901E-07 -0.42267E-08 6271 0.805E-04 0.197E-03
RMM: 15 -0.178158839371E+03 -0.19463E-07 -0.82263E-09 4719 0.347E-04 0.198E-03
RMM: 16 -0.178158839356E+03 0.15003E-07 -0.54710E-09 4904 0.300E-04 0.197E-03
RMM: 17 -0.178158839358E+03 -0.21682E-08 -0.52901E-09 4933 0.267E-04
3 F= -.18377726E+03 E0= -.18377726E+03 d E =-.588826E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178207693923E+03 -0.48855E-01 -0.10786E+01 7840 0.117E+01 0.218E+00
RMM: 2 -0.178219916850E+03 -0.12223E-01 -0.59277E-01 7986 0.297E+00 0.459E+00
RMM: 3 -0.178148828385E+03 0.71088E-01 -0.77414E-02 8150 0.107E+00 0.192E+00
RMM: 4 -0.178154507095E+03 -0.56787E-02 -0.23524E-02 8718 0.623E-01 0.198E+00
RMM: 5 -0.178143187470E+03 0.11320E-01 -0.19004E-02 8524 0.558E-01 0.181E-01
RMM: 6 -0.178143712946E+03 -0.52548E-03 -0.56410E-03 10382 0.214E-01 0.787E-02
RMM: 7 -0.178143645895E+03 0.67051E-04 -0.62986E-04 8022 0.102E-01 0.237E-02
RMM: 8 -0.178143659090E+03 -0.13194E-04 -0.16596E-04 9986 0.397E-02 0.259E-02
RMM: 9 -0.178143647750E+03 0.11340E-04 -0.28985E-05 7773 0.206E-02 0.869E-03
RMM: 10 -0.178143646360E+03 0.13903E-05 -0.11811E-05 8855 0.118E-02 0.372E-03
RMM: 11 -0.178143646120E+03 0.23991E-06 -0.14883E-06 9538 0.488E-03 0.240E-03
RMM: 12 -0.178143646217E+03 -0.97585E-07 -0.70427E-07 8386 0.267E-03 0.202E-03
RMM: 13 -0.178143646129E+03 0.88625E-07 -0.15439E-07 9455 0.121E-03 0.190E-03
RMM: 14 -0.178143646079E+03 0.49866E-07 -0.22790E-08 5423 0.543E-04 0.189E-03
RMM: 15 -0.178143646046E+03 0.33091E-07 -0.55982E-09 4720 0.282E-04 0.188E-03
RMM: 16 -0.178143646051E+03 -0.49949E-08 -0.37829E-09 4706 0.228E-04
4 F= -.18379067E+03 E0= -.18379067E+03 d E =-.134052E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178156184317E+03 -0.12538E-01 -0.65791E-01 7872 0.290E+00 0.542E-01
RMM: 2 -0.178157279439E+03 -0.10951E-02 -0.36238E-02 7986 0.735E-01 0.115E+00
RMM: 3 -0.178152700378E+03 0.45791E-02 -0.46638E-03 8138 0.265E-01 0.484E-01
RMM: 4 -0.178152909914E+03 -0.20954E-03 -0.14846E-03 8751 0.153E-01 0.469E-01
RMM: 5 -0.178152290275E+03 0.61964E-03 -0.10807E-03 8563 0.134E-01 0.433E-02
RMM: 6 -0.178152317775E+03 -0.27500E-04 -0.33195E-04 10560 0.518E-02 0.182E-02
RMM: 7 -0.178152313744E+03 0.40315E-05 -0.40761E-05 8009 0.253E-02 0.535E-03
RMM: 8 -0.178152315928E+03 -0.21838E-05 -0.10478E-05 9448 0.102E-02 0.633E-03
RMM: 9 -0.178152316252E+03 -0.32429E-06 -0.16092E-06 9132 0.494E-03 0.365E-03
RMM: 10 -0.178152316884E+03 -0.63194E-06 -0.94812E-07 8358 0.336E-03 0.195E-03
RMM: 11 -0.178152316979E+03 -0.95126E-07 -0.17639E-07 9737 0.147E-03 0.209E-03
RMM: 12 -0.178152316945E+03 0.34383E-07 -0.77279E-08 6980 0.769E-04 0.195E-03
RMM: 13 -0.178152316936E+03 0.89931E-08 -0.10338E-08 4732 0.361E-04
5 F= -.18379226E+03 E0= -.18379226E+03 d E =-.149992E-01 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178151288221E+03 0.10287E-02 -0.33826E-01 7880 0.172E+00 0.208E-01
RMM: 2 -0.178151682905E+03 -0.39468E-03 -0.68666E-03 8172 0.282E-01 0.115E-01
RMM: 3 -0.178151660574E+03 0.22331E-04 -0.96792E-04 8892 0.124E-01 0.105E-01
RMM: 4 -0.178151581715E+03 0.78859E-04 -0.29005E-04 8988 0.662E-02 0.234E-02
RMM: 5 -0.178151576204E+03 0.55106E-05 -0.68162E-05 9212 0.325E-02 0.773E-03
RMM: 6 -0.178151579216E+03 -0.30122E-05 -0.24033E-05 10216 0.163E-02 0.527E-03
RMM: 7 -0.178151579795E+03 -0.57849E-06 -0.36248E-06 9186 0.639E-03 0.238E-03
RMM: 8 -0.178151579923E+03 -0.12831E-06 -0.65345E-07 9865 0.284E-03 0.196E-03
RMM: 9 -0.178151579875E+03 0.47647E-07 -0.12834E-07 8039 0.116E-03 0.192E-03
RMM: 10 -0.178151579830E+03 0.45613E-07 -0.23341E-08 5126 0.526E-04 0.189E-03
RMM: 11 -0.178151579843E+03 -0.13068E-07 -0.74706E-09 4740 0.329E-04 0.189E-03
RMM: 12 -0.178151579837E+03 0.55188E-08 -0.50201E-09 4807 0.271E-04
6 F= -.18379349E+03 E0= -.18379349E+03 d E =-.123475E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178144466036E+03 0.71138E-02 -0.30440E+00 7824 0.515E+00 0.621E-01
RMM: 2 -0.178147989945E+03 -0.35239E-02 -0.61964E-02 8168 0.848E-01 0.342E-01
RMM: 3 -0.178147826139E+03 0.16381E-03 -0.87919E-03 8890 0.374E-01 0.316E-01
RMM: 4 -0.178147113534E+03 0.71260E-03 -0.25995E-03 9010 0.198E-01 0.707E-02
RMM: 5 -0.178147049591E+03 0.63944E-04 -0.62474E-04 9198 0.985E-02 0.227E-02
RMM: 6 -0.178147070022E+03 -0.20431E-04 -0.21950E-04 10288 0.493E-02 0.149E-02
RMM: 7 -0.178147073121E+03 -0.30990E-05 -0.33225E-05 9264 0.191E-02 0.482E-03
RMM: 8 -0.178147073853E+03 -0.73254E-06 -0.59837E-06 10144 0.851E-03 0.243E-03
RMM: 9 -0.178147073808E+03 0.45053E-07 -0.12041E-06 9981 0.343E-03 0.205E-03
RMM: 10 -0.178147073702E+03 0.10621E-06 -0.21563E-07 8305 0.134E-03 0.179E-03
RMM: 11 -0.178147073727E+03 -0.25386E-07 -0.38747E-08 5136 0.581E-04 0.178E-03
RMM: 12 -0.178147073719E+03 0.84183E-08 -0.10293E-08 4820 0.345E-04
7 F= -.18379491E+03 E0= -.18379491E+03 d E =-.265069E-02 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178164192964E+03 -0.17119E-01 -0.60228E-01 8032 0.329E+00 0.116E+00
RMM: 2 -0.178161170232E+03 0.30227E-02 -0.27334E-02 8194 0.710E-01 0.477E-01
RMM: 3 -0.178160618598E+03 0.55163E-03 -0.11681E-02 7918 0.396E-01 0.666E-01
RMM: 4 -0.178158026733E+03 0.25919E-02 -0.38741E-03 8122 0.270E-01 0.531E-02
RMM: 5 -0.178157982982E+03 0.43751E-04 -0.54528E-04 9874 0.822E-02 0.207E-02
RMM: 6 -0.178157985774E+03 -0.27918E-05 -0.12600E-04 10222 0.384E-02 0.103E-02
RMM: 7 -0.178157985156E+03 0.61761E-06 -0.22444E-05 9990 0.170E-02 0.464E-03
RMM: 8 -0.178157984712E+03 0.44450E-06 -0.39096E-06 10500 0.734E-03 0.404E-03
RMM: 9 -0.178157984853E+03 -0.14157E-06 -0.14312E-06 9116 0.386E-03 0.210E-03
RMM: 10 -0.178157984973E+03 -0.11967E-06 -0.21511E-07 8776 0.185E-03 0.174E-03
RMM: 11 -0.178157985003E+03 -0.30366E-07 -0.65464E-08 7231 0.791E-04 0.174E-03
RMM: 12 -0.178157984986E+03 0.17713E-07 -0.13256E-08 4794 0.418E-04 0.174E-03
RMM: 13 -0.178157984990E+03 -0.39181E-08 -0.95525E-09 4799 0.349E-04
8 F= -.18379472E+03 E0= -.18379472E+03 d E =0.189267E-03 mag= -0.0000
N E dE d eps ncg rms rms(c)
DAV: 1 -0.178154172413E+03 0.38126E-02 -0.18918E-01 8032 0.184E+00 0.649E-01
RMM: 2 -0.178153185981E+03 0.98643E-03 -0.85861E-03 8204 0.398E-01 0.264E-01
RMM: 3 -0.178153036266E+03 0.14972E-03 -0.36719E-03 7922 0.222E-01 0.372E-01
RMM: 4 -0.178152230008E+03 0.80626E-03 -0.12018E-03 8120 0.151E-01 0.310E-02
RMM: 5 -0.178152226323E+03 0.36850E-05 -0.17428E-04 9866 0.464E-02 0.985E-03
RMM: 6 -0.178152231676E+03 -0.53530E-05 -0.40181E-05 10482 0.216E-02 0.632E-03
RMM: 7 -0.178152232800E+03 -0.11241E-05 -0.65670E-06 9884 0.915E-03 0.296E-03
RMM: 8 -0.178152233352E+03 -0.55238E-06 -0.12628E-06 10298 0.420E-03 0.277E-03
RMM: 9 -0.178152233267E+03 0.85467E-07 -0.47038E-07 9070 0.228E-03 0.187E-03
RMM: 10 -0.178152233183E+03 0.83965E-07 -0.64735E-08 8073 0.105E-03 0.176E-03
RMM: 11 -0.178152233165E+03 0.17724E-07 -0.17932E-08 4962 0.469E-04 0.176E-03
RMM: 12 -0.178152233179E+03 -0.13879E-07 -0.65053E-09 4702 0.325E-04 0.176E-03
RMM: 13 -0.178152233178E+03 0.92768E-09 -0.67376E-09 4680 0.293E-04
9 F= -.18379519E+03 E0= -.18379519E+03 d E =-.278106E-03 mag= -0.0000