iterations/neb3_max1_image01_iter3_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422671040922E+04 0.42267E+04 -0.25390E+05 9008 0.103E+03
DAV: 2 -0.103920091320E+03 -0.43306E+04 -0.39319E+04 11008 0.248E+02
DAV: 3 -0.425829734444E+03 -0.32191E+03 -0.30139E+03 10328 0.656E+01
DAV: 4 -0.434294805824E+03 -0.84651E+01 -0.83625E+01 10864 0.107E+01
DAV: 5 -0.434578101453E+03 -0.28330E+00 -0.28255E+00 11192 0.190E+00 0.103E+02
RMM: 6 -0.378768558568E+03 0.55810E+02 -0.10947E+02 9701 0.142E+01 0.696E+01
RMM: 7 -0.614858528883E+03 -0.23609E+03 -0.25791E+02 10472 0.171E+01 0.115E+02
RMM: 8 -0.522398478927E+03 0.92460E+02 -0.11619E+02 10299 0.116E+01 0.911E+01
RMM: 9 -0.390525664782E+03 0.13187E+03 -0.53090E+01 10182 0.909E+00 0.414E+01
RMM: 10 -0.394799461986E+03 -0.42738E+01 -0.29614E+01 10137 0.700E+00 0.435E+01
RMM: 11 -0.375947645714E+03 0.18852E+02 -0.99427E+00 9888 0.421E+00 0.158E+01
RMM: 12 -0.378412983474E+03 -0.24653E+01 -0.22398E+00 10260 0.185E+00 0.157E+01
RMM: 13 -0.378972495491E+03 -0.55951E+00 -0.13399E+00 10226 0.147E+00 0.124E+01
RMM: 14 -0.381662346057E+03 -0.26899E+01 -0.83953E-01 10284 0.117E+00 0.101E+01
RMM: 15 -0.385671042002E+03 -0.40087E+01 -0.55005E-01 10332 0.981E-01 0.100E+01
RMM: 16 -0.388312346671E+03 -0.26413E+01 -0.73903E-01 10871 0.108E+00 0.938E+00
RMM: 17 -0.392426198397E+03 -0.41139E+01 -0.14322E+00 11713 0.135E+00 0.696E+00
RMM: 18 -0.396074542017E+03 -0.36483E+01 -0.93752E-01 11455 0.109E+00 0.647E+00
RMM: 19 -0.399646921136E+03 -0.35724E+01 -0.10730E+00 11722 0.108E+00 0.668E+00
RMM: 20 -0.401558870161E+03 -0.19119E+01 -0.60087E-01 11211 0.809E-01 0.595E+00
RMM: 21 -0.405691403818E+03 -0.41325E+01 -0.18431E+00 12621 0.124E+00 0.550E+00
RMM: 22 -0.409128591584E+03 -0.34372E+01 -0.11741E+00 12309 0.963E-01 0.575E+00
RMM: 23 -0.410393283914E+03 -0.12647E+01 -0.27878E-01 11151 0.486E-01 0.588E+00
RMM: 24 -0.410218331210E+03 0.17495E+00 -0.36129E-02 10319 0.218E-01 0.591E+00
RMM: 25 -0.409297806320E+03 0.92052E+00 -0.19109E-01 11508 0.458E-01 0.527E+00
RMM: 26 -0.408811342979E+03 0.48646E+00 -0.23446E-01 12263 0.595E-01 0.549E+00
RMM: 27 -0.408181934566E+03 0.62941E+00 -0.13104E-01 11434 0.447E-01 0.653E+00
RMM: 28 -0.410487837906E+03 -0.23059E+01 -0.10017E+00 13960 0.109E+00 0.619E+00
RMM: 29 -0.411805481341E+03 -0.13176E+01 -0.30767E-01 12749 0.563E-01 0.688E+00
RMM: 30 -0.412888741974E+03 -0.10833E+01 -0.66299E-01 13976 0.807E-01 0.473E+00
RMM: 31 -0.414014497832E+03 -0.11258E+01 -0.37758E-01 13206 0.625E-01 0.415E+00
RMM: 32 -0.413917626114E+03 0.96872E-01 -0.22169E-02 10421 0.190E-01 0.374E+00
RMM: 33 -0.414427844978E+03 -0.51022E+00 -0.37684E-02 10884 0.257E-01 0.305E+00
RMM: 34 -0.414936844614E+03 -0.50900E+00 -0.34100E-02 11009 0.238E-01 0.266E+00
RMM: 35 -0.415231103269E+03 -0.29426E+00 -0.25236E-02 10750 0.197E-01 0.213E+00
RMM: 36 -0.415540433287E+03 -0.30933E+00 -0.17666E-02 10632 0.154E-01 0.169E+00
RMM: 37 -0.415900727104E+03 -0.36029E+00 -0.15034E-02 10895 0.136E-01 0.128E+00
RMM: 38 -0.416124795572E+03 -0.22407E+00 -0.12032E-02 10948 0.123E-01 0.105E+00
RMM: 39 -0.416250291108E+03 -0.12550E+00 -0.14471E-02 11529 0.126E-01 0.986E-01
RMM: 40 -0.416224628109E+03 0.25663E-01 -0.11217E-02 11349 0.109E-01 0.859E-01
RMM: 41 -0.416299767169E+03 -0.75139E-01 -0.10987E-02 11474 0.101E-01 0.729E-01
RMM: 42 -0.416483334819E+03 -0.18357E+00 -0.10704E-02 11502 0.100E-01 0.617E-01
RMM: 43 -0.416570763400E+03 -0.87429E-01 -0.60022E-03 11088 0.760E-02 0.477E-01
RMM: 44 -0.416645897091E+03 -0.75134E-01 -0.45784E-03 11215 0.628E-02 0.386E-01
RMM: 45 -0.416718702763E+03 -0.72806E-01 -0.38293E-03 11344 0.538E-02 0.320E-01
RMM: 46 -0.416777671815E+03 -0.58969E-01 -0.38955E-03 11615 0.529E-02 0.220E-01
RMM: 47 -0.416826254970E+03 -0.48583E-01 -0.21525E-03 11242 0.390E-02 0.186E-01
RMM: 48 -0.416885676782E+03 -0.59422E-01 -0.14764E-03 11328 0.305E-02 0.210E-01
RMM: 49 -0.416926698636E+03 -0.41022E-01 -0.64934E-04 10997 0.224E-02 0.143E-01
RMM: 50 -0.416953867594E+03 -0.27169E-01 -0.40599E-04 11017 0.195E-02 0.623E-02
RMM: 51 -0.416966577049E+03 -0.12709E-01 -0.13286E-04 9999 0.115E-02 0.559E-02
RMM: 52 -0.416972058790E+03 -0.54817E-02 -0.66157E-05 8572 0.781E-03 0.475E-02
RMM: 53 -0.416976311529E+03 -0.42527E-02 -0.60811E-05 8343 0.652E-03 0.265E-02
RMM: 54 -0.416978139131E+03 -0.18276E-02 -0.27564E-05 7569 0.439E-03 0.166E-02
RMM: 55 -0.416978743072E+03 -0.60394E-03 -0.12228E-05 6750 0.290E-03 0.107E-02
RMM: 56 -0.416978895231E+03 -0.15216E-03 -0.54414E-06 6202 0.201E-03 0.981E-03
RMM: 57 -0.416979066544E+03 -0.17131E-03 -0.53427E-06 5303 0.175E-03 0.698E-03
RMM: 58 -0.416979141523E+03 -0.74979E-04 -0.22255E-06 4518 0.134E-03 0.564E-03
RMM: 59 -0.416979217224E+03 -0.75701E-04 -0.17610E-06 4311 0.121E-03 0.500E-03
RMM: 60 -0.416979284211E+03 -0.66987E-04 -0.96740E-07 3618 0.102E-03 0.393E-03
RMM: 61 -0.416979364908E+03 -0.80697E-04 -0.80953E-07 3737 0.100E-03 0.300E-03
RMM: 62 -0.416979438322E+03 -0.73414E-04 -0.84092E-07 3725 0.980E-04 0.248E-03
RMM: 63 -0.416979481043E+03 -0.42721E-04 -0.48058E-07 3222 0.924E-04 0.176E-03
RMM: 64 -0.416979541691E+03 -0.60648E-04 -0.21476E-07 2701 0.846E-04 0.127E-03
RMM: 65 -0.416979615319E+03 -0.73628E-04 -0.40007E-07 2965 0.903E-04 0.131E-03
RMM: 66 -0.416979650745E+03 -0.35426E-04 -0.24320E-07 2763 0.869E-04 0.912E-04
RMM: 67 -0.416979683462E+03 -0.32717E-04 -0.35587E-07 2972 0.910E-04 0.988E-04
RMM: 68 -0.416979696005E+03 -0.12543E-04 -0.16250E-07 2629 0.853E-04 0.588E-04
RMM: 69 -0.416979703460E+03 -0.74543E-05 -0.92764E-08 2380 0.825E-04
1 F= -.45465737E+03 E0= -.45465825E+03 d E =0.263632E-02 mag= -0.0006