iterations/neb3_max1_image01_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422173098992E+04 0.42217E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.104664118877E+03 -0.43264E+04 -0.39293E+04 11008 0.248E+02
DAV: 3 -0.426354546889E+03 -0.32169E+03 -0.30124E+03 10288 0.655E+01
DAV: 4 -0.434875559772E+03 -0.85210E+01 -0.83627E+01 10872 0.107E+01
DAV: 5 -0.435163819176E+03 -0.28826E+00 -0.28758E+00 11200 0.191E+00 0.101E+02
RMM: 6 -0.388739992232E+03 0.46424E+02 -0.10719E+02 9691 0.142E+01 0.729E+01
RMM: 7 -0.832739734251E+03 -0.44400E+03 -0.47839E+02 11435 0.198E+01 0.153E+02
RMM: 8 -0.499303457129E+03 0.33344E+03 -0.12094E+02 10010 0.116E+01 0.924E+01
RMM: 9 -0.414976054897E+03 0.84327E+02 -0.67430E+01 10161 0.106E+01 0.568E+01
RMM: 10 -0.401271210599E+03 0.13705E+02 -0.44589E+01 10381 0.874E+00 0.474E+01
RMM: 11 -0.382950467160E+03 0.18321E+02 -0.23727E+01 10277 0.585E+00 0.418E+01
RMM: 12 -0.372930025093E+03 0.10020E+02 -0.75168E+00 9998 0.371E+00 0.261E+01
RMM: 13 -0.373835218418E+03 -0.90519E+00 -0.37352E+00 10167 0.258E+00 0.211E+01
RMM: 14 -0.373504544873E+03 0.33067E+00 -0.13320E+00 10149 0.154E+00 0.133E+01
RMM: 15 -0.378354947456E+03 -0.48504E+01 -0.14710E+00 10449 0.157E+00 0.122E+01
RMM: 16 -0.383760187482E+03 -0.54052E+01 -0.14992E+00 10581 0.160E+00 0.125E+01
RMM: 17 -0.389276609230E+03 -0.55164E+01 -0.22462E+00 11235 0.176E+00 0.105E+01
RMM: 18 -0.390245073879E+03 -0.96846E+00 -0.46481E-01 10188 0.884E-01 0.853E+00
RMM: 19 -0.391055044329E+03 -0.80997E+00 -0.13388E-01 10155 0.421E-01 0.655E+00
RMM: 20 -0.395590572135E+03 -0.45355E+01 -0.79054E-01 12048 0.967E-01 0.678E+00
RMM: 21 -0.400515548909E+03 -0.49250E+01 -0.18805E+00 13156 0.134E+00 0.627E+00
RMM: 22 -0.404002938842E+03 -0.34874E+01 -0.12111E+00 12826 0.107E+00 0.603E+00
RMM: 23 -0.407335472042E+03 -0.33325E+01 -0.11970E+00 12937 0.101E+00 0.647E+00
RMM: 24 -0.410000497153E+03 -0.26650E+01 -0.11550E+00 12890 0.948E-01 0.670E+00
RMM: 25 -0.410760930950E+03 -0.76043E+00 -0.19030E-01 11220 0.409E-01 0.624E+00
RMM: 26 -0.410815759915E+03 -0.54829E-01 -0.11297E-02 10735 0.118E-01 0.611E+00
RMM: 27 -0.411010691846E+03 -0.19493E+00 -0.14037E-02 10610 0.125E-01 0.550E+00
RMM: 28 -0.411316158138E+03 -0.30547E+00 -0.26342E-03 10888 0.568E-02 0.544E+00
RMM: 29 -0.411159570694E+03 0.15659E+00 -0.21036E-02 12256 0.168E-01 0.548E+00
RMM: 30 -0.410771944511E+03 0.38763E+00 -0.45407E-02 13571 0.243E-01 0.535E+00
RMM: 31 -0.410340799850E+03 0.43114E+00 -0.14023E-01 15899 0.469E-01 0.600E+00
RMM: 32 -0.410166843247E+03 0.17396E+00 -0.25400E-03 10557 0.716E-02 0.602E+00
RMM: 33 -0.411392879070E+03 -0.12260E+01 -0.38252E-01 17545 0.727E-01 0.727E+00
RMM: 34 -0.412182970919E+03 -0.79009E+00 -0.20405E-01 16946 0.515E-01 0.711E+00
RMM: 35 -0.412777499437E+03 -0.59453E+00 -0.28490E-01 17441 0.611E-01 0.540E+00
RMM: 36 -0.413844719941E+03 -0.10672E+01 -0.31748E-01 17314 0.545E-01 0.376E+00
RMM: 37 -0.414875707072E+03 -0.10310E+01 -0.14511E-01 16782 0.427E-01 0.387E+00
RMM: 38 -0.415462341292E+03 -0.58663E+00 -0.99360E-02 16235 0.338E-01 0.320E+00
RMM: 39 -0.415700037024E+03 -0.23770E+00 -0.79414E-02 15957 0.325E-01 0.291E+00
RMM: 40 -0.415987134799E+03 -0.28710E+00 -0.28689E-02 14526 0.193E-01 0.237E+00
RMM: 41 -0.416292095421E+03 -0.30496E+00 -0.20102E-02 14031 0.176E-01 0.184E+00
RMM: 42 -0.416462089676E+03 -0.16999E+00 -0.11510E-02 12928 0.131E-01 0.154E+00
RMM: 43 -0.416485973528E+03 -0.23884E-01 -0.52006E-03 11672 0.873E-02 0.138E+00
RMM: 44 -0.416599101546E+03 -0.11313E+00 -0.83078E-03 12206 0.104E-01 0.116E+00
RMM: 45 -0.416755681653E+03 -0.15658E+00 -0.12295E-02 12797 0.120E-01 0.784E-01
RMM: 46 -0.416910770282E+03 -0.15509E+00 -0.11631E-02 12639 0.116E-01 0.575E-01
RMM: 47 -0.417014829393E+03 -0.10406E+00 -0.11142E-02 12421 0.107E-01 0.474E-01
RMM: 48 -0.417091052675E+03 -0.76223E-01 -0.84520E-03 11968 0.892E-02 0.659E-01
RMM: 49 -0.417076741111E+03 0.14312E-01 -0.61139E-03 11614 0.709E-02 0.749E-01
RMM: 50 -0.417073658889E+03 0.30822E-02 -0.13542E-03 10719 0.378E-02 0.502E-01
RMM: 51 -0.417156250605E+03 -0.82592E-01 -0.57818E-03 12709 0.817E-02 0.342E-01
RMM: 52 -0.417247856508E+03 -0.91606E-01 -0.28018E-03 11555 0.518E-02 0.207E-01
RMM: 53 -0.417300298745E+03 -0.52442E-01 -0.42834E-03 12160 0.624E-02 0.209E-01
RMM: 54 -0.417339617579E+03 -0.39319E-01 -0.15439E-03 11231 0.339E-02 0.168E-01
RMM: 55 -0.417379211025E+03 -0.39593E-01 -0.53518E-04 10762 0.249E-02 0.100E-01
RMM: 56 -0.417424425894E+03 -0.45215E-01 -0.47366E-04 11102 0.198E-02 0.141E-01
RMM: 57 -0.417456749697E+03 -0.32324E-01 -0.32733E-04 11191 0.164E-02 0.647E-02
RMM: 58 -0.417465333141E+03 -0.85834E-02 -0.84867E-05 9278 0.910E-03 0.496E-02
RMM: 59 -0.417468262589E+03 -0.29294E-02 -0.43224E-05 8180 0.638E-03 0.498E-02
RMM: 60 -0.417469254782E+03 -0.99219E-03 -0.19921E-05 7130 0.439E-03 0.361E-02
RMM: 61 -0.417468821882E+03 0.43290E-03 -0.10874E-04 8541 0.882E-03 0.236E-02
RMM: 62 -0.417470346384E+03 -0.15245E-02 -0.21628E-05 7147 0.491E-03 0.191E-02
RMM: 63 -0.417470680253E+03 -0.33387E-03 -0.10797E-05 6691 0.332E-03 0.123E-02
RMM: 64 -0.417470905296E+03 -0.22504E-03 -0.53230E-06 6430 0.214E-03 0.136E-02
RMM: 65 -0.417471004681E+03 -0.99385E-04 -0.31426E-06 5868 0.173E-03 0.952E-03
RMM: 66 -0.417471187710E+03 -0.18303E-03 -0.71090E-06 6709 0.252E-03 0.815E-03
RMM: 67 -0.417471209446E+03 -0.21737E-04 -0.39689E-06 6357 0.217E-03 0.648E-03
RMM: 68 -0.417471265775E+03 -0.56328E-04 -0.89059E-07 3480 0.937E-04 0.512E-03
RMM: 69 -0.417471316119E+03 -0.50344E-04 -0.10206E-06 3855 0.108E-03 0.246E-03
RMM: 70 -0.417471332910E+03 -0.16792E-04 -0.52125E-07 3288 0.997E-04 0.725E-03
RMM: 71 -0.417471333357E+03 -0.44687E-06 -0.17644E-07 2662 0.910E-04
1 F= -.45513546E+03 E0= -.45513620E+03 d E =0.220808E-02 mag= 0.0008