iterations/neb1_max2_image01_iter35_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422372533460E+04 0.42237E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.104435161075E+03 -0.43282E+04 -0.39234E+04 10992 0.248E+02
DAV: 3 -0.427287203338E+03 -0.32285E+03 -0.30153E+03 10264 0.657E+01
DAV: 4 -0.435678011796E+03 -0.83908E+01 -0.82945E+01 10728 0.106E+01
DAV: 5 -0.435974862401E+03 -0.29685E+00 -0.29609E+00 11264 0.195E+00 0.997E+01
RMM: 6 -0.388960501685E+03 0.47014E+02 -0.11132E+02 9701 0.146E+01 0.731E+01
RMM: 7 -0.802343987147E+03 -0.41338E+03 -0.44225E+02 11314 0.194E+01 0.149E+02
RMM: 8 -0.498086824736E+03 0.30426E+03 -0.11640E+02 10031 0.113E+01 0.914E+01
RMM: 9 -0.418107018792E+03 0.79980E+02 -0.66610E+01 10178 0.106E+01 0.572E+01
RMM: 10 -0.400301489027E+03 0.17806E+02 -0.41835E+01 10324 0.851E+00 0.452E+01
RMM: 11 -0.387846811697E+03 0.12455E+02 -0.25364E+01 10338 0.594E+00 0.446E+01
RMM: 12 -0.374278731646E+03 0.13568E+02 -0.80350E+00 10009 0.382E+00 0.303E+01
RMM: 13 -0.374137334082E+03 0.14140E+00 -0.36240E+00 10155 0.255E+00 0.237E+01
RMM: 14 -0.372568570977E+03 0.15688E+01 -0.13359E+00 10107 0.153E+00 0.158E+01
RMM: 15 -0.375886682158E+03 -0.33181E+01 -0.13600E+00 10440 0.148E+00 0.116E+01
RMM: 16 -0.380824080193E+03 -0.49374E+01 -0.10724E+00 10392 0.135E+00 0.115E+01
RMM: 17 -0.387597396505E+03 -0.67733E+01 -0.23283E+00 11500 0.183E+00 0.105E+01
RMM: 18 -0.391173885895E+03 -0.35765E+01 -0.12056E+00 10867 0.130E+00 0.709E+00
RMM: 19 -0.393904563538E+03 -0.27307E+01 -0.38617E-01 10297 0.762E-01 0.709E+00
RMM: 20 -0.396754090522E+03 -0.28495E+01 -0.59409E-01 11167 0.851E-01 0.769E+00
RMM: 21 -0.400188812654E+03 -0.34347E+01 -0.12074E+00 12120 0.115E+00 0.720E+00
RMM: 22 -0.403524037460E+03 -0.33352E+01 -0.14583E+00 12478 0.118E+00 0.563E+00
RMM: 23 -0.408128779266E+03 -0.46047E+01 -0.23137E+00 13182 0.136E+00 0.618E+00
RMM: 24 -0.409863544746E+03 -0.17348E+01 -0.56915E-01 11766 0.699E-01 0.597E+00
RMM: 25 -0.410523819247E+03 -0.66027E+00 -0.10811E-01 10724 0.311E-01 0.838E+00
RMM: 26 -0.409875545601E+03 0.64827E+00 -0.48679E-02 10540 0.218E-01 0.629E+00
RMM: 27 -0.411258221743E+03 -0.13827E+01 -0.10652E-01 11537 0.296E-01 0.819E+00
RMM: 28 -0.410277828637E+03 0.98039E+00 -0.72071E-02 10864 0.250E-01 0.759E+00
RMM: 29 -0.410042668441E+03 0.23516E+00 -0.11096E-01 11658 0.296E-01 0.759E+00
RMM: 30 -0.410593982778E+03 -0.55131E+00 -0.31805E-01 13919 0.513E-01 0.803E+00
RMM: 31 -0.410891842810E+03 -0.29786E+00 -0.39608E-02 11204 0.211E-01 0.784E+00
RMM: 32 -0.411130196047E+03 -0.23835E+00 -0.52162E-02 11459 0.220E-01 0.734E+00
RMM: 33 -0.409794473409E+03 0.13357E+01 -0.14331E+00 14793 0.864E-01 0.915E+00
RMM: 34 -0.411626579195E+03 -0.18321E+01 -0.63354E-01 12911 0.582E-01 0.770E+00
RMM: 35 -0.412233800761E+03 -0.60722E+00 -0.75074E-02 11767 0.231E-01 0.707E+00
RMM: 36 -0.412630236832E+03 -0.39644E+00 -0.28437E-02 11141 0.158E-01 0.674E+00
RMM: 37 -0.413959918653E+03 -0.13297E+01 -0.36207E-01 15306 0.505E-01 0.571E+00
RMM: 38 -0.414344070263E+03 -0.38415E+00 -0.11015E+00 16348 0.785E-01 0.421E+00
RMM: 39 -0.415110580023E+03 -0.76651E+00 -0.13738E-01 14184 0.354E-01 0.442E+00
RMM: 40 -0.415461403659E+03 -0.35082E+00 -0.91877E-02 13526 0.316E-01 0.437E+00
RMM: 41 -0.415625966640E+03 -0.16456E+00 -0.90748E-02 13029 0.289E-01 0.456E+00
RMM: 42 -0.415596930542E+03 0.29036E-01 -0.81131E-02 12872 0.283E-01 0.470E+00
RMM: 43 -0.415456820451E+03 0.14011E+00 -0.29847E-02 11542 0.194E-01 0.436E+00
RMM: 44 -0.415567341330E+03 -0.11052E+00 -0.47458E-02 12119 0.200E-01 0.381E+00
RMM: 45 -0.415685417517E+03 -0.11808E+00 -0.54245E-02 11735 0.187E-01 0.350E+00
RMM: 46 -0.415725327837E+03 -0.39910E-01 -0.27671E-02 11066 0.129E-01 0.339E+00
RMM: 47 -0.415730447767E+03 -0.51199E-02 -0.30083E-02 12035 0.134E-01 0.430E+00
RMM: 48 -0.415964496450E+03 -0.23405E+00 -0.21745E-02 11529 0.131E-01 0.384E+00
RMM: 49 -0.416215512718E+03 -0.25102E+00 -0.78970E-02 13318 0.192E-01 0.279E+00
RMM: 50 -0.416423801413E+03 -0.20829E+00 -0.76971E-02 13230 0.197E-01 0.165E+00
RMM: 51 -0.416547310609E+03 -0.12351E+00 -0.51635E-02 13321 0.180E-01 0.103E+00
RMM: 52 -0.416617727124E+03 -0.70417E-01 -0.26632E-03 10656 0.598E-02 0.965E-01
RMM: 53 -0.416728786445E+03 -0.11106E+00 -0.10719E-02 11925 0.869E-02 0.917E-01
RMM: 54 -0.416798486222E+03 -0.69700E-01 -0.46605E-03 11620 0.658E-02 0.839E-01
RMM: 55 -0.416866531719E+03 -0.68045E-01 -0.75284E-03 12179 0.749E-02 0.788E-01
RMM: 56 -0.416883646200E+03 -0.17114E-01 -0.21289E-03 11128 0.457E-02 0.733E-01
RMM: 57 -0.416924311255E+03 -0.40665E-01 -0.34022E-03 11755 0.515E-02 0.692E-01
RMM: 58 -0.416970700433E+03 -0.46389E-01 -0.41397E-03 12262 0.519E-02 0.576E-01
RMM: 59 -0.417021002275E+03 -0.50302E-01 -0.28694E-03 11886 0.433E-02 0.510E-01
RMM: 60 -0.417062607678E+03 -0.41605E-01 -0.13375E-03 11293 0.319E-02 0.472E-01
RMM: 61 -0.417091795100E+03 -0.29187E-01 -0.48988E-04 10700 0.222E-02 0.453E-01
RMM: 62 -0.417127032089E+03 -0.35237E-01 -0.66071E-04 11167 0.228E-02 0.455E-01
RMM: 63 -0.417152426961E+03 -0.25395E-01 -0.27620E-04 10777 0.154E-02 0.435E-01
RMM: 64 -0.417159339730E+03 -0.69128E-02 -0.24066E-04 10420 0.133E-02 0.415E-01
RMM: 65 -0.417159793027E+03 -0.45330E-03 -0.21214E-04 10375 0.113E-02 0.391E-01
RMM: 66 -0.417157153049E+03 0.26400E-02 -0.42158E-04 11453 0.154E-02 0.378E-01
RMM: 67 -0.417156828227E+03 0.32482E-03 -0.13245E-04 9588 0.970E-03 0.359E-01
RMM: 68 -0.417153824173E+03 0.30041E-02 -0.22370E-04 10434 0.108E-02 0.332E-01
RMM: 69 -0.417151054887E+03 0.27693E-02 -0.19991E-04 10187 0.987E-03 0.309E-01
RMM: 70 -0.417148197724E+03 0.28572E-02 -0.18871E-04 10057 0.964E-03 0.288E-01
RMM: 71 -0.417141717781E+03 0.64799E-02 -0.10309E-03 13466 0.212E-02 0.236E-01
RMM: 72 -0.417140285011E+03 0.14328E-02 -0.22841E-04 10550 0.106E-02 0.208E-01
RMM: 73 -0.417139052413E+03 0.12326E-02 -0.22178E-04 10280 0.101E-02 0.183E-01
RMM: 74 -0.417138290883E+03 0.76153E-03 -0.14202E-04 9412 0.822E-03 0.155E-01
RMM: 75 -0.417137785419E+03 0.50546E-03 -0.12422E-04 8971 0.776E-03 0.125E-01
RMM: 76 -0.417137080285E+03 0.70513E-03 -0.29650E-04 10516 0.114E-02 0.963E-02
RMM: 77 -0.417137456730E+03 -0.37645E-03 -0.24044E-05 7021 0.442E-03 0.803E-02
RMM: 78 -0.417137684209E+03 -0.22748E-03 -0.67108E-05 7822 0.576E-03 0.526E-02
RMM: 79 -0.417137777471E+03 -0.93262E-04 -0.31283E-05 6931 0.431E-03 0.352E-02
RMM: 80 -0.417137837427E+03 -0.59956E-04 -0.14303E-05 6350 0.317E-03 0.238E-02
RMM: 81 -0.417137828483E+03 0.89443E-05 -0.12340E-05 6356 0.286E-03
1 F= -.45483586E+03 E0= -.45483607E+03 d E =0.615842E-03 mag= 0.0028