iterations/neb1_max2_image03_iter18_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422326820544E+04 0.42233E+04 -0.25382E+05 8992 0.103E+03
DAV: 2 -0.103187277740E+03 -0.43265E+04 -0.39260E+04 11008 0.248E+02
DAV: 3 -0.426574499130E+03 -0.32339E+03 -0.30202E+03 10216 0.657E+01
DAV: 4 -0.435143169304E+03 -0.85687E+01 -0.84622E+01 10784 0.107E+01
DAV: 5 -0.435432260627E+03 -0.28909E+00 -0.28836E+00 11048 0.194E+00 0.979E+01
RMM: 6 -0.388982502910E+03 0.46450E+02 -0.11186E+02 9709 0.146E+01 0.741E+01
RMM: 7 -0.819398581416E+03 -0.43042E+03 -0.44102E+02 11345 0.192E+01 0.152E+02
RMM: 8 -0.489870481727E+03 0.32953E+03 -0.99993E+01 9903 0.107E+01 0.891E+01
RMM: 9 -0.429256133749E+03 0.60614E+02 -0.69123E+01 10241 0.107E+01 0.632E+01
RMM: 10 -0.367199016058E+03 0.62057E+02 -0.34008E+01 10235 0.755E+00 0.233E+01
RMM: 11 -0.371138268530E+03 -0.39393E+01 -0.13546E+01 10285 0.430E+00 0.285E+01
RMM: 12 -0.370391203065E+03 0.74707E+00 -0.37564E+00 10108 0.258E+00 0.207E+01
RMM: 13 -0.372340566972E+03 -0.19494E+01 -0.21409E+00 10116 0.207E+00 0.143E+01
RMM: 14 -0.376785649956E+03 -0.44451E+01 -0.16460E+00 10186 0.169E+00 0.128E+01
RMM: 15 -0.379730024622E+03 -0.29444E+01 -0.10616E+00 10248 0.134E+00 0.102E+01
RMM: 16 -0.387550466375E+03 -0.78204E+01 -0.24022E+00 11515 0.183E+00 0.116E+01
RMM: 17 -0.390426867521E+03 -0.28764E+01 -0.12700E+00 10842 0.138E+00 0.876E+00
RMM: 18 -0.393003120564E+03 -0.25763E+01 -0.49265E-01 10335 0.836E-01 0.837E+00
RMM: 19 -0.395124572563E+03 -0.21215E+01 -0.43834E-01 10834 0.715E-01 0.760E+00
RMM: 20 -0.398438537714E+03 -0.33140E+01 -0.99380E-01 11873 0.102E+00 0.692E+00
RMM: 21 -0.401375142307E+03 -0.29366E+01 -0.77554E-01 11835 0.890E-01 0.567E+00
RMM: 22 -0.405726902863E+03 -0.43518E+01 -0.12944E+00 12574 0.104E+00 0.506E+00
RMM: 23 -0.409087909291E+03 -0.33610E+01 -0.10864E+00 12532 0.940E-01 0.500E+00
RMM: 24 -0.411037458666E+03 -0.19495E+01 -0.69159E-01 12040 0.745E-01 0.525E+00
RMM: 25 -0.411420737276E+03 -0.38328E+00 -0.57669E-02 10481 0.249E-01 0.506E+00
RMM: 26 -0.411101352415E+03 0.31938E+00 -0.45166E-02 10308 0.246E-01 0.495E+00
RMM: 27 -0.410773598575E+03 0.32775E+00 -0.94918E-02 11273 0.386E-01 0.437E+00
RMM: 28 -0.411214382313E+03 -0.44078E+00 -0.26259E-01 13397 0.603E-01 0.527E+00
RMM: 29 -0.410942567642E+03 0.27181E+00 -0.52012E-02 10642 0.302E-01 0.632E+00
RMM: 30 -0.412075195871E+03 -0.11326E+01 -0.59282E-01 14458 0.892E-01 0.548E+00
RMM: 31 -0.412510239166E+03 -0.43504E+00 -0.20735E-01 13143 0.511E-01 0.610E+00
RMM: 32 -0.413560364638E+03 -0.10501E+01 -0.23754E-01 12799 0.491E-01 0.517E+00
RMM: 33 -0.414344112812E+03 -0.78375E+00 -0.12690E-01 11742 0.409E-01 0.302E+00
RMM: 34 -0.414430214176E+03 -0.86101E-01 -0.85015E-03 10283 0.118E-01 0.274E+00
RMM: 35 -0.414780219233E+03 -0.35001E+00 -0.25633E-02 11396 0.215E-01 0.253E+00
RMM: 36 -0.415012307447E+03 -0.23209E+00 -0.27064E-02 11562 0.208E-01 0.197E+00
RMM: 37 -0.415086744500E+03 -0.74437E-01 -0.10661E-02 10585 0.130E-01 0.168E+00
RMM: 38 -0.415209267810E+03 -0.12252E+00 -0.89269E-03 10548 0.115E-01 0.132E+00
RMM: 39 -0.415378204475E+03 -0.16894E+00 -0.90090E-03 10888 0.113E-01 0.919E-01
RMM: 40 -0.415530714465E+03 -0.15251E+00 -0.61211E-03 10737 0.907E-02 0.753E-01
RMM: 41 -0.415604542906E+03 -0.73828E-01 -0.30832E-03 10522 0.618E-02 0.671E-01
RMM: 42 -0.415664641727E+03 -0.60099E-01 -0.52902E-03 11552 0.747E-02 0.586E-01
RMM: 43 -0.415748968877E+03 -0.84327E-01 -0.19692E-02 13418 0.131E-01 0.573E-01
RMM: 44 -0.415852272469E+03 -0.10330E+00 -0.11102E-02 12481 0.937E-02 0.641E-01
RMM: 45 -0.415952911008E+03 -0.10064E+00 -0.63058E-03 11630 0.736E-02 0.450E-01
RMM: 46 -0.415998647426E+03 -0.45736E-01 -0.27479E-03 11017 0.501E-02 0.337E-01
RMM: 47 -0.416039652223E+03 -0.41005E-01 -0.28147E-03 11286 0.453E-02 0.243E-01
RMM: 48 -0.416089727328E+03 -0.50075E-01 -0.28978E-03 11684 0.432E-02 0.171E-01
RMM: 49 -0.416123838846E+03 -0.34112E-01 -0.12981E-03 11162 0.306E-02 0.115E-01
RMM: 50 -0.416150407530E+03 -0.26569E-01 -0.56812E-04 10865 0.207E-02 0.810E-02
RMM: 51 -0.416178677842E+03 -0.28270E-01 -0.39474E-04 10844 0.172E-02 0.696E-02
RMM: 52 -0.416204892900E+03 -0.26215E-01 -0.20542E-04 10573 0.136E-02 0.611E-02
RMM: 53 -0.416216815836E+03 -0.11923E-01 -0.11499E-04 9492 0.978E-03 0.474E-02
RMM: 54 -0.416220227659E+03 -0.34118E-02 -0.49466E-05 8360 0.652E-03 0.327E-02
RMM: 55 -0.416221319843E+03 -0.10922E-02 -0.20350E-05 7100 0.444E-03 0.263E-02
RMM: 56 -0.416220013910E+03 0.13059E-02 -0.21533E-05 7023 0.511E-03 0.174E-02
RMM: 57 -0.416221951831E+03 -0.19379E-02 -0.18852E-05 7093 0.428E-03 0.136E-02
RMM: 58 -0.416222429424E+03 -0.47759E-03 -0.58452E-06 6173 0.215E-03 0.106E-02
RMM: 59 -0.416222726837E+03 -0.29741E-03 -0.42755E-06 5591 0.177E-03 0.704E-03
RMM: 60 -0.416222948109E+03 -0.22127E-03 -0.30409E-06 5190 0.149E-03 0.446E-03
RMM: 61 -0.416223088599E+03 -0.14049E-03 -0.27736E-06 5662 0.157E-03 0.215E-02
RMM: 62 -0.416223089292E+03 -0.69249E-06 -0.57917E-07 3748 0.103E-03
1 F= -.45393278E+03 E0= -.45393214E+03 d E =-.192633E-02 mag= -0.0056