iterations/neb3_max1_image05_iter19_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422044216248E+04 0.42204E+04 -0.25385E+05 9008 0.103E+03
DAV: 2 -0.105470741665E+03 -0.43259E+04 -0.39289E+04 11032 0.248E+02
DAV: 3 -0.426537683012E+03 -0.32107E+03 -0.30071E+03 10280 0.655E+01
DAV: 4 -0.435084535099E+03 -0.85469E+01 -0.84244E+01 10792 0.107E+01
DAV: 5 -0.435384072199E+03 -0.29954E+00 -0.29884E+00 11248 0.195E+00 0.101E+02
RMM: 6 -0.388903721729E+03 0.46480E+02 -0.10748E+02 9691 0.143E+01 0.734E+01
RMM: 7 -0.826536153729E+03 -0.43763E+03 -0.46952E+02 11446 0.196E+01 0.151E+02
RMM: 8 -0.498220688730E+03 0.32832E+03 -0.11999E+02 10010 0.115E+01 0.915E+01
RMM: 9 -0.411285955687E+03 0.86935E+02 -0.68464E+01 10154 0.107E+01 0.556E+01
RMM: 10 -0.392977018121E+03 0.18309E+02 -0.43099E+01 10314 0.856E+00 0.449E+01
RMM: 11 -0.380989955470E+03 0.11987E+02 -0.21438E+01 10243 0.561E+00 0.405E+01
RMM: 12 -0.374029287333E+03 0.69607E+01 -0.73095E+00 9992 0.362E+00 0.257E+01
RMM: 13 -0.374431221854E+03 -0.40193E+00 -0.33542E+00 10170 0.244E+00 0.213E+01
RMM: 14 -0.374079545424E+03 0.35168E+00 -0.12792E+00 10124 0.152E+00 0.136E+01
RMM: 15 -0.379070219660E+03 -0.49907E+01 -0.14701E+00 10480 0.158E+00 0.132E+01
RMM: 16 -0.384836011720E+03 -0.57658E+01 -0.15248E+00 10626 0.162E+00 0.140E+01
RMM: 17 -0.389013839312E+03 -0.41778E+01 -0.17842E+00 11007 0.161E+00 0.922E+00
RMM: 18 -0.391311072589E+03 -0.22972E+01 -0.49678E-01 10235 0.890E-01 0.628E+00
RMM: 19 -0.394171744948E+03 -0.28607E+01 -0.46925E-01 10682 0.827E-01 0.665E+00
RMM: 20 -0.396356447725E+03 -0.21847E+01 -0.54025E-01 11222 0.854E-01 0.659E+00
RMM: 21 -0.400334271270E+03 -0.39778E+01 -0.12616E+00 12334 0.116E+00 0.672E+00
RMM: 22 -0.403608128183E+03 -0.32739E+01 -0.10957E+00 12235 0.102E+00 0.587E+00
RMM: 23 -0.408316564186E+03 -0.47084E+01 -0.21886E+00 13124 0.129E+00 0.799E+00
RMM: 24 -0.409732058131E+03 -0.14155E+01 -0.72572E-01 12017 0.760E-01 0.736E+00
RMM: 25 -0.409865067053E+03 -0.13301E+00 -0.28199E-02 10796 0.176E-01 0.701E+00
RMM: 26 -0.409929781613E+03 -0.64715E-01 -0.65347E-03 11426 0.747E-02 0.687E+00
RMM: 27 -0.410018586510E+03 -0.88805E-01 -0.14140E-03 10411 0.409E-02 0.662E+00
RMM: 28 -0.410140793085E+03 -0.12221E+00 -0.20710E-03 10615 0.543E-02 0.688E+00
RMM: 29 -0.410125928170E+03 0.14865E-01 -0.16253E-03 10610 0.423E-02 0.722E+00
RMM: 30 -0.409912587915E+03 0.21334E+00 -0.16475E-02 14792 0.137E-01 0.592E+00
RMM: 31 -0.410414530405E+03 -0.50194E+00 -0.33914E-03 12248 0.702E-02 0.562E+00
RMM: 32 -0.411466097906E+03 -0.10516E+01 -0.26226E-01 17902 0.526E-01 0.977E+00
RMM: 33 -0.410130785403E+03 0.13353E+01 -0.11897E-01 17445 0.404E-01 0.107E+01
RMM: 34 -0.409837222564E+03 0.29356E+00 -0.61887E-03 12801 0.101E-01 0.109E+01
RMM: 35 -0.410194890136E+03 -0.35767E+00 -0.34656E-02 15649 0.220E-01 0.112E+01
RMM: 36 -0.410920477087E+03 -0.72559E+00 -0.93893E-02 17148 0.351E-01 0.130E+01
RMM: 37 -0.409707563779E+03 0.12129E+01 -0.47924E-02 16290 0.289E-01 0.121E+01
RMM: 38 -0.408777009532E+03 0.93055E+00 -0.28883E-01 17889 0.596E-01 0.797E+00
RMM: 39 -0.409943613881E+03 -0.11666E+01 -0.48699E-02 16068 0.280E-01 0.962E+00
RMM: 40 -0.411909417174E+03 -0.19658E+01 -0.54060E-01 17920 0.782E-01 0.614E+00
RMM: 41 -0.413332362751E+03 -0.14229E+01 -0.89243E-02 17108 0.357E-01 0.624E+00
RMM: 42 -0.414162926527E+03 -0.83056E+00 -0.15167E-01 17494 0.425E-01 0.689E+00
RMM: 43 -0.414297278905E+03 -0.13435E+00 -0.43568E-01 17894 0.719E-01 0.559E+00
RMM: 44 -0.414369257007E+03 -0.71978E-01 -0.12768E-01 17282 0.414E-01 0.554E+00
RMM: 45 -0.414064654492E+03 0.30460E+00 -0.74740E-03 13360 0.107E-01 0.572E+00
RMM: 46 -0.414046947547E+03 0.17707E-01 -0.22373E-03 11335 0.587E-02 0.572E+00
RMM: 47 -0.414408965703E+03 -0.36202E+00 -0.22133E-02 14821 0.162E-01 0.525E+00
RMM: 48 -0.415071585573E+03 -0.66262E+00 -0.47904E-02 16327 0.240E-01 0.400E+00
RMM: 49 -0.415815095161E+03 -0.74351E+00 -0.17881E-02 15131 0.154E-01 0.469E+00
RMM: 50 -0.416093002820E+03 -0.27791E+00 -0.17933E-02 15266 0.139E-01 0.579E+00
RMM: 51 -0.416041711765E+03 0.51291E-01 -0.52877E-02 16463 0.232E-01 0.409E+00
RMM: 52 -0.416361112366E+03 -0.31940E+00 -0.69979E-03 13205 0.932E-02 0.384E+00
RMM: 53 -0.416492057719E+03 -0.13095E+00 -0.58185E-03 12876 0.769E-02 0.313E+00
RMM: 54 -0.416663423992E+03 -0.17137E+00 -0.73816E-03 13495 0.860E-02 0.228E+00
RMM: 55 -0.416827368892E+03 -0.16394E+00 -0.42337E-03 12476 0.718E-02 0.179E+00
RMM: 56 -0.416834806628E+03 -0.74377E-02 -0.49036E-03 12759 0.734E-02 0.119E+00
RMM: 57 -0.416918056045E+03 -0.83249E-01 -0.22152E-03 11207 0.586E-02 0.129E+00
RMM: 58 -0.417034176172E+03 -0.11612E+00 -0.30177E-03 11662 0.595E-02 0.970E-01
RMM: 59 -0.417108838596E+03 -0.74662E-01 -0.19850E-03 11197 0.510E-02 0.658E-01
RMM: 60 -0.417199589825E+03 -0.90751E-01 -0.14957E-03 10922 0.426E-02 0.451E-01
RMM: 61 -0.417289345013E+03 -0.89755E-01 -0.22219E-03 11665 0.473E-02 0.323E-01
RMM: 62 -0.417323226446E+03 -0.33881E-01 -0.12002E-03 10982 0.343E-02 0.234E-01
RMM: 63 -0.417364780334E+03 -0.41554E-01 -0.11964E-03 11214 0.355E-02 0.342E-01
RMM: 64 -0.417388159444E+03 -0.23379E-01 -0.21086E-03 12126 0.469E-02 0.598E-01
RMM: 65 -0.417440648744E+03 -0.52489E-01 -0.11386E-03 11307 0.300E-02 0.537E-01
RMM: 66 -0.417466590254E+03 -0.25942E-01 -0.55795E-04 10967 0.254E-02 0.339E-01
RMM: 67 -0.417491739167E+03 -0.25149E-01 -0.35862E-04 10902 0.179E-02 0.323E-01
RMM: 68 -0.417512383393E+03 -0.20644E-01 -0.25321E-04 10995 0.164E-02 0.224E-01
RMM: 69 -0.417536172282E+03 -0.23789E-01 -0.23517E-04 10693 0.137E-02 0.147E-01
RMM: 70 -0.417552789535E+03 -0.16617E-01 -0.20543E-04 10858 0.128E-02 0.107E-01
RMM: 71 -0.417559575319E+03 -0.67858E-02 -0.14784E-04 10522 0.116E-02 0.322E-02
RMM: 72 -0.417563095467E+03 -0.35201E-02 -0.49545E-05 8361 0.648E-03 0.307E-02
RMM: 73 -0.417564283645E+03 -0.11882E-02 -0.18701E-05 7074 0.437E-03 0.132E-02
RMM: 74 -0.417565163393E+03 -0.87975E-03 -0.10035E-05 6757 0.296E-03 0.148E-02
RMM: 75 -0.417565727589E+03 -0.56420E-03 -0.59680E-06 6378 0.200E-03 0.148E-02
RMM: 76 -0.417565951190E+03 -0.22360E-03 -0.68658E-06 6718 0.243E-03 0.696E-03
RMM: 77 -0.417566107694E+03 -0.15650E-03 -0.32624E-06 4574 0.136E-03 0.503E-03
RMM: 78 -0.417566120318E+03 -0.12624E-04 -0.12061E-06 3700 0.111E-03 0.339E-03
RMM: 79 -0.417566173676E+03 -0.53358E-04 -0.48353E-07 3284 0.985E-04 0.272E-03
RMM: 80 -0.417566264160E+03 -0.90484E-04 -0.22508E-07 2842 0.944E-04 0.215E-03
RMM: 81 -0.417566235988E+03 0.28173E-04 -0.92664E-07 4086 0.112E-03 0.119E-03
RMM: 82 -0.417566266245E+03 -0.30257E-04 -0.86127E-08 2492 0.830E-04 0.821E-04
RMM: 83 -0.417566303200E+03 -0.36955E-04 -0.10397E-07 2426 0.832E-04 0.803E-04
RMM: 84 -0.417566329814E+03 -0.26614E-04 -0.14351E-07 2604 0.844E-04 0.915E-04
RMM: 85 -0.417566343978E+03 -0.14164E-04 -0.11677E-07 2372 0.818E-04 0.560E-04
RMM: 86 -0.417566352448E+03 -0.84702E-05 -0.82377E-08 2284 0.806E-04
1 F= -.45523040E+03 E0= -.45523111E+03 d E =0.214743E-02 mag= 0.0002