iterations/neb2_max1_image02_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422419027426E+04 0.42242E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104496865719E+03 -0.43287E+04 -0.39299E+04 11008 0.248E+02
DAV: 3 -0.426344244144E+03 -0.32185E+03 -0.30140E+03 10288 0.656E+01
DAV: 4 -0.434777746163E+03 -0.84335E+01 -0.83148E+01 10880 0.106E+01
DAV: 5 -0.435063106986E+03 -0.28536E+00 -0.28464E+00 11248 0.191E+00 0.102E+02
RMM: 6 -0.383119512560E+03 0.51944E+02 -0.10821E+02 9690 0.143E+01 0.706E+01
RMM: 7 -0.712913707373E+03 -0.32979E+03 -0.34715E+02 10879 0.185E+01 0.135E+02
RMM: 8 -0.515075282875E+03 0.19784E+03 -0.12018E+02 10189 0.116E+01 0.925E+01
RMM: 9 -0.397686774921E+03 0.11739E+03 -0.66352E+01 10245 0.104E+01 0.481E+01
RMM: 10 -0.389157306374E+03 0.85295E+01 -0.38836E+01 10165 0.811E+00 0.415E+01
RMM: 11 -0.393020425516E+03 -0.38631E+01 -0.21399E+01 10264 0.579E+00 0.467E+01
RMM: 12 -0.378408496646E+03 0.14612E+02 -0.67350E+00 9903 0.358E+00 0.295E+01
RMM: 13 -0.375025272749E+03 0.33832E+01 -0.23204E+00 10029 0.202E+00 0.238E+01
RMM: 14 -0.374669204183E+03 0.35607E+00 -0.14308E+00 10273 0.156E+00 0.154E+01
RMM: 15 -0.377789199199E+03 -0.31200E+01 -0.12958E+00 10471 0.148E+00 0.118E+01
RMM: 16 -0.384125655912E+03 -0.63365E+01 -0.12786E+00 10676 0.146E+00 0.176E+01
RMM: 17 -0.386516225593E+03 -0.23906E+01 -0.98759E-01 10601 0.124E+00 0.159E+01
RMM: 18 -0.388806445880E+03 -0.22902E+01 -0.83364E-01 10697 0.110E+00 0.124E+01
RMM: 19 -0.393083742916E+03 -0.42773E+01 -0.14394E+00 11528 0.133E+00 0.760E+00
RMM: 20 -0.396490500245E+03 -0.34068E+01 -0.73984E-01 11015 0.101E+00 0.628E+00
RMM: 21 -0.398981778403E+03 -0.24913E+01 -0.68280E-01 11254 0.902E-01 0.596E+00
RMM: 22 -0.401204069522E+03 -0.22223E+01 -0.59846E-01 11422 0.809E-01 0.585E+00
RMM: 23 -0.405191419304E+03 -0.39873E+01 -0.16509E+00 12615 0.118E+00 0.601E+00
RMM: 24 -0.408736123211E+03 -0.35447E+01 -0.18599E+00 13079 0.119E+00 0.638E+00
RMM: 25 -0.411314810362E+03 -0.25787E+01 -0.12576E+00 12586 0.954E-01 0.568E+00
RMM: 26 -0.412198393452E+03 -0.88358E+00 -0.44864E-02 10618 0.232E-01 0.553E+00
RMM: 27 -0.412539901667E+03 -0.34151E+00 -0.26614E-02 10582 0.153E-01 0.553E+00
RMM: 28 -0.413701648677E+03 -0.11617E+01 -0.21689E-01 13166 0.418E-01 0.487E+00
RMM: 29 -0.414620747493E+03 -0.91910E+00 -0.30886E-01 14178 0.582E-01 0.389E+00
RMM: 30 -0.414865727200E+03 -0.24498E+00 -0.81304E-02 11961 0.359E-01 0.305E+00
RMM: 31 -0.415326404745E+03 -0.46068E+00 -0.38584E-02 10940 0.249E-01 0.315E+00
RMM: 32 -0.415661104299E+03 -0.33470E+00 -0.36741E-02 10923 0.240E-01 0.270E+00
RMM: 33 -0.416064648959E+03 -0.40354E+00 -0.28501E-02 10738 0.208E-01 0.269E+00
RMM: 34 -0.416168030143E+03 -0.10338E+00 -0.13645E-02 10392 0.143E-01 0.225E+00
RMM: 35 -0.416331798131E+03 -0.16377E+00 -0.90860E-03 10469 0.107E-01 0.183E+00
RMM: 36 -0.416462877648E+03 -0.13108E+00 -0.72051E-03 10663 0.915E-02 0.151E+00
RMM: 37 -0.416550075963E+03 -0.87198E-01 -0.41139E-03 10527 0.682E-02 0.129E+00
RMM: 38 -0.416622725136E+03 -0.72649E-01 -0.37524E-03 10899 0.632E-02 0.113E+00
RMM: 39 -0.416704540673E+03 -0.81816E-01 -0.58933E-03 11685 0.790E-02 0.904E-01
RMM: 40 -0.416823698041E+03 -0.11916E+00 -0.67426E-03 12113 0.840E-02 0.714E-01
RMM: 41 -0.416917703130E+03 -0.94005E-01 -0.58582E-03 11887 0.766E-02 0.608E-01
RMM: 42 -0.416998410172E+03 -0.80707E-01 -0.98059E-03 12613 0.947E-02 0.437E-01
RMM: 43 -0.417023032273E+03 -0.24622E-01 -0.58228E-03 11884 0.743E-02 0.469E-01
RMM: 44 -0.417063808382E+03 -0.40776E-01 -0.43671E-03 11424 0.606E-02 0.366E-01
RMM: 45 -0.417129491554E+03 -0.65683E-01 -0.35452E-03 11467 0.532E-02 0.299E-01
RMM: 46 -0.417218381894E+03 -0.88890E-01 -0.46218E-03 11957 0.536E-02 0.282E-01
RMM: 47 -0.417272047964E+03 -0.53666E-01 -0.21789E-03 11472 0.381E-02 0.271E-01
RMM: 48 -0.417319989058E+03 -0.47941E-01 -0.20428E-03 11688 0.356E-02 0.196E-01
RMM: 49 -0.417355904793E+03 -0.35916E-01 -0.98970E-04 11251 0.269E-02 0.136E-01
RMM: 50 -0.417383376921E+03 -0.27472E-01 -0.41064E-04 10802 0.180E-02 0.879E-02
RMM: 51 -0.417405547564E+03 -0.22171E-01 -0.37248E-04 11206 0.191E-02 0.118E-01
RMM: 52 -0.417413174645E+03 -0.76271E-02 -0.12503E-04 10009 0.114E-02 0.113E-01
RMM: 53 -0.417417300222E+03 -0.41256E-02 -0.10595E-04 9485 0.912E-03 0.652E-02
RMM: 54 -0.417418223867E+03 -0.92364E-03 -0.42805E-05 8352 0.657E-03 0.380E-02
RMM: 55 -0.417418314135E+03 -0.90269E-04 -0.18655E-05 7077 0.448E-03 0.245E-02
RMM: 56 -0.417417712203E+03 0.60193E-03 -0.14880E-05 6712 0.421E-03 0.180E-02
RMM: 57 -0.417418523940E+03 -0.81174E-03 -0.16379E-05 7001 0.365E-03 0.885E-03
RMM: 58 -0.417419001126E+03 -0.47719E-03 -0.10816E-05 6805 0.262E-03 0.876E-03
RMM: 59 -0.417419277274E+03 -0.27615E-03 -0.59636E-06 5415 0.184E-03 0.599E-03
RMM: 60 -0.417419472395E+03 -0.19512E-03 -0.36902E-06 5085 0.157E-03 0.435E-03
RMM: 61 -0.417419647495E+03 -0.17510E-03 -0.18790E-06 3953 0.119E-03 0.343E-03
RMM: 62 -0.417419837715E+03 -0.19022E-03 -0.13969E-06 3864 0.111E-03 0.418E-03
RMM: 63 -0.417419955600E+03 -0.11788E-03 -0.14771E-06 3972 0.113E-03 0.325E-03
RMM: 64 -0.417420038892E+03 -0.83292E-04 -0.69876E-07 3385 0.978E-04 0.371E-03
RMM: 65 -0.417420121714E+03 -0.82823E-04 -0.40165E-07 3093 0.918E-04 0.238E-03
RMM: 66 -0.417420158494E+03 -0.36780E-04 -0.59431E-07 3572 0.101E-03 0.721E-03
RMM: 67 -0.417420197961E+03 -0.39466E-04 -0.73290E-08 2439 0.808E-04 0.451E-03
RMM: 68 -0.417420245666E+03 -0.47705E-04 -0.11435E-07 2477 0.825E-04 0.144E-03
RMM: 69 -0.417420288114E+03 -0.42448E-04 -0.19454E-07 2668 0.850E-04 0.183E-03
RMM: 70 -0.417420312424E+03 -0.24310E-04 -0.18327E-07 2562 0.857E-04 0.235E-03
RMM: 71 -0.417420328714E+03 -0.16290E-04 -0.16785E-07 2574 0.859E-04 0.202E-03
RMM: 72 -0.417420339286E+03 -0.10572E-04 -0.99879E-08 2377 0.828E-04 0.135E-03
RMM: 73 -0.417420349143E+03 -0.98568E-05 -0.15453E-07 2517 0.842E-04
1 F= -.45508034E+03 E0= -.45508103E+03 d E =0.205479E-02 mag= 0.0000