iterations/neb3_max1_image04_iter19_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422066219479E+04 0.42207E+04 -0.25385E+05 9008 0.103E+03
DAV: 2 -0.105382530456E+03 -0.43260E+04 -0.39276E+04 11024 0.248E+02
DAV: 3 -0.426580622063E+03 -0.32120E+03 -0.30080E+03 10288 0.655E+01
DAV: 4 -0.435122480858E+03 -0.85419E+01 -0.84212E+01 10864 0.107E+01
DAV: 5 -0.435418093103E+03 -0.29561E+00 -0.29489E+00 11248 0.192E+00 0.101E+02
RMM: 6 -0.388706898697E+03 0.46711E+02 -0.10760E+02 9690 0.143E+01 0.729E+01
RMM: 7 -0.816320413299E+03 -0.42761E+03 -0.46451E+02 11396 0.196E+01 0.151E+02
RMM: 8 -0.499766376009E+03 0.31655E+03 -0.12109E+02 10030 0.116E+01 0.921E+01
RMM: 9 -0.410765704965E+03 0.89001E+02 -0.67804E+01 10162 0.107E+01 0.551E+01
RMM: 10 -0.402977528254E+03 0.77882E+01 -0.45558E+01 10374 0.879E+00 0.487E+01
RMM: 11 -0.383113465520E+03 0.19864E+02 -0.23678E+01 10237 0.591E+00 0.415E+01
RMM: 12 -0.373441407060E+03 0.96721E+01 -0.77311E+00 9998 0.374E+00 0.261E+01
RMM: 13 -0.374074358561E+03 -0.63295E+00 -0.35327E+00 10160 0.250E+00 0.214E+01
RMM: 14 -0.373674686808E+03 0.39967E+00 -0.12619E+00 10115 0.151E+00 0.136E+01
RMM: 15 -0.378277241902E+03 -0.46026E+01 -0.14245E+00 10466 0.155E+00 0.121E+01
RMM: 16 -0.383890122698E+03 -0.56129E+01 -0.14402E+00 10574 0.158E+00 0.130E+01
RMM: 17 -0.388777729166E+03 -0.48876E+01 -0.20255E+00 11169 0.169E+00 0.966E+00
RMM: 18 -0.391231359894E+03 -0.24536E+01 -0.59100E-01 10320 0.961E-01 0.700E+00
RMM: 19 -0.393273798683E+03 -0.20424E+01 -0.33184E-01 10367 0.708E-01 0.681E+00
RMM: 20 -0.397361751291E+03 -0.40880E+01 -0.10366E+00 11766 0.111E+00 0.751E+00
RMM: 21 -0.400552254075E+03 -0.31905E+01 -0.11134E+00 12160 0.107E+00 0.697E+00
RMM: 22 -0.403993894451E+03 -0.34416E+01 -0.12446E+00 12437 0.108E+00 0.624E+00
RMM: 23 -0.408315012983E+03 -0.43211E+01 -0.17666E+00 12911 0.118E+00 0.652E+00
RMM: 24 -0.410188240475E+03 -0.18732E+01 -0.65008E-01 11851 0.733E-01 0.627E+00
RMM: 25 -0.410991628014E+03 -0.80339E+00 -0.13717E-01 10884 0.346E-01 0.588E+00
RMM: 26 -0.410657910836E+03 0.33372E+00 -0.46077E-02 10296 0.242E-01 0.552E+00
RMM: 27 -0.410421122012E+03 0.23679E+00 -0.45061E-02 10643 0.224E-01 0.514E+00
RMM: 28 -0.410048540693E+03 0.37258E+00 -0.10681E-01 11903 0.377E-01 0.570E+00
RMM: 29 -0.409553326752E+03 0.49521E+00 -0.95869E-02 11815 0.396E-01 0.597E+00
RMM: 30 -0.410621202550E+03 -0.10679E+01 -0.18595E-01 12248 0.535E-01 0.636E+00
RMM: 31 -0.412440419505E+03 -0.18192E+01 -0.99979E-01 15351 0.988E-01 0.765E+00
RMM: 32 -0.413613895391E+03 -0.11735E+01 -0.54509E-01 14902 0.730E-01 0.435E+00
RMM: 33 -0.414866335084E+03 -0.12524E+01 -0.17844E-01 13093 0.422E-01 0.375E+00
RMM: 34 -0.415244156676E+03 -0.37782E+00 -0.44248E-02 10967 0.283E-01 0.291E+00
RMM: 35 -0.415852015130E+03 -0.60786E+00 -0.93358E-02 12014 0.350E-01 0.274E+00
RMM: 36 -0.416068398139E+03 -0.21638E+00 -0.47412E-02 11188 0.262E-01 0.249E+00
RMM: 37 -0.416258646302E+03 -0.19025E+00 -0.21857E-02 10619 0.181E-01 0.244E+00
RMM: 38 -0.416405879426E+03 -0.14723E+00 -0.12822E-02 10457 0.140E-01 0.182E+00
RMM: 39 -0.416572016708E+03 -0.16614E+00 -0.11278E-02 10682 0.124E-01 0.150E+00
RMM: 40 -0.416704972191E+03 -0.13296E+00 -0.14026E-02 11312 0.127E-01 0.137E+00
RMM: 41 -0.416760935495E+03 -0.55963E-01 -0.86910E-03 10919 0.100E-01 0.105E+00
RMM: 42 -0.416910580845E+03 -0.14965E+00 -0.10459E-02 11458 0.104E-01 0.657E-01
RMM: 43 -0.417062920769E+03 -0.15234E+00 -0.11035E-02 11759 0.105E-01 0.587E-01
RMM: 44 -0.417131556680E+03 -0.68636E-01 -0.60869E-03 11138 0.776E-02 0.549E-01
RMM: 45 -0.417168503373E+03 -0.36947E-01 -0.88090E-03 11668 0.954E-02 0.468E-01
RMM: 46 -0.417206228996E+03 -0.37726E-01 -0.43365E-03 11031 0.661E-02 0.392E-01
RMM: 47 -0.417290978408E+03 -0.84749E-01 -0.38073E-03 11204 0.588E-02 0.266E-01
RMM: 48 -0.417385890173E+03 -0.94912E-01 -0.54955E-03 11693 0.627E-02 0.329E-01
RMM: 49 -0.417422615337E+03 -0.36725E-01 -0.14062E-03 10907 0.346E-02 0.244E-01
RMM: 50 -0.417450108234E+03 -0.27493E-01 -0.10001E-03 10939 0.286E-02 0.173E-01
RMM: 51 -0.417461860590E+03 -0.11752E-01 -0.10412E-03 11335 0.297E-02 0.200E-01
RMM: 52 -0.417474041148E+03 -0.12181E-01 -0.18842E-04 10329 0.148E-02 0.173E-01
RMM: 53 -0.417530533054E+03 -0.56492E-01 -0.86069E-04 12179 0.258E-02 0.122E-01
RMM: 54 -0.417560304148E+03 -0.29771E-01 -0.19541E-04 10733 0.140E-02 0.130E-01
RMM: 55 -0.417578585738E+03 -0.18282E-01 -0.14561E-04 10321 0.116E-02 0.135E-01
RMM: 56 -0.417586032811E+03 -0.74471E-02 -0.11109E-04 10517 0.112E-02 0.785E-02
RMM: 57 -0.417593664905E+03 -0.76321E-02 -0.12589E-04 9959 0.102E-02 0.348E-02
RMM: 58 -0.417595723944E+03 -0.20590E-02 -0.45647E-05 8546 0.644E-03 0.222E-02
RMM: 59 -0.417596928848E+03 -0.12049E-02 -0.28263E-05 7606 0.486E-03 0.194E-02
RMM: 60 -0.417597792102E+03 -0.86325E-03 -0.19024E-05 7166 0.383E-03 0.938E-03
RMM: 61 -0.417598185933E+03 -0.39383E-03 -0.93040E-06 6716 0.267E-03 0.809E-03
RMM: 62 -0.417598624037E+03 -0.43810E-03 -0.66157E-06 5893 0.200E-03 0.617E-03
RMM: 63 -0.417598878261E+03 -0.25422E-03 -0.37698E-06 4933 0.152E-03 0.403E-03
RMM: 64 -0.417599006985E+03 -0.12872E-03 -0.20907E-06 4474 0.128E-03 0.323E-03
RMM: 65 -0.417599088775E+03 -0.81790E-04 -0.15474E-06 4038 0.113E-03 0.256E-03
RMM: 66 -0.417599150977E+03 -0.62202E-04 -0.79526E-07 3310 0.976E-04 0.172E-03
RMM: 67 -0.417599189032E+03 -0.38055E-04 -0.56602E-07 3288 0.925E-04 0.187E-03
RMM: 68 -0.417599202009E+03 -0.12976E-04 -0.27882E-07 2882 0.875E-04 0.132E-03
RMM: 69 -0.417599213359E+03 -0.11350E-04 -0.16227E-07 2638 0.842E-04 0.927E-04
RMM: 70 -0.417599218641E+03 -0.52819E-05 -0.97067E-08 2392 0.829E-04
1 F= -.45526027E+03 E0= -.45526096E+03 d E =0.206710E-02 mag= 0.0003