iterations/neb1_max2_image03_iter7_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421772405767E+04 0.42177E+04 -0.25374E+05 8992 0.103E+03
DAV: 2 -0.101513678850E+03 -0.43192E+04 -0.39158E+04 11016 0.247E+02
DAV: 3 -0.424854327287E+03 -0.32334E+03 -0.30163E+03 10240 0.656E+01
DAV: 4 -0.433550848714E+03 -0.86965E+01 -0.85879E+01 10712 0.108E+01
DAV: 5 -0.433849711780E+03 -0.29886E+00 -0.29814E+00 11032 0.196E+00 0.976E+01
RMM: 6 -0.393550184920E+03 0.40300E+02 -0.10700E+02 9653 0.144E+01 0.800E+01
RMM: 7 -0.819950854647E+03 -0.42640E+03 -0.41308E+02 11499 0.183E+01 0.148E+02
RMM: 8 -0.479334010734E+03 0.34062E+03 -0.10277E+02 10018 0.109E+01 0.874E+01
RMM: 9 -0.413704522702E+03 0.65629E+02 -0.72425E+01 10273 0.111E+01 0.606E+01
RMM: 10 -0.367519447276E+03 0.46185E+02 -0.29884E+01 10292 0.695E+00 0.289E+01
RMM: 11 -0.372252056713E+03 -0.47326E+01 -0.16939E+01 10392 0.491E+00 0.296E+01
RMM: 12 -0.370674957504E+03 0.15771E+01 -0.47050E+00 10143 0.290E+00 0.219E+01
RMM: 13 -0.369270306085E+03 0.14047E+01 -0.20032E+00 10164 0.181E+00 0.180E+01
RMM: 14 -0.370435869045E+03 -0.11656E+01 -0.98095E-01 10179 0.128E+00 0.121E+01
RMM: 15 -0.377366817839E+03 -0.69309E+01 -0.17660E+00 10959 0.174E+00 0.112E+01
RMM: 16 -0.385363815475E+03 -0.79970E+01 -0.26675E+00 11697 0.199E+00 0.140E+01
RMM: 17 -0.388343903653E+03 -0.29801E+01 -0.21543E+00 11315 0.169E+00 0.921E+00
RMM: 18 -0.390127626605E+03 -0.17837E+01 -0.58957E-01 10387 0.950E-01 0.722E+00
RMM: 19 -0.392263805534E+03 -0.21362E+01 -0.22400E-01 10210 0.575E-01 0.609E+00
RMM: 20 -0.394652672278E+03 -0.23889E+01 -0.48707E-01 11257 0.809E-01 0.664E+00
RMM: 21 -0.397121723158E+03 -0.24691E+01 -0.63346E-01 11744 0.857E-01 0.690E+00
RMM: 22 -0.400455541573E+03 -0.33338E+01 -0.98845E-01 12341 0.933E-01 0.582E+00
RMM: 23 -0.404149251657E+03 -0.36937E+01 -0.10959E+00 12773 0.962E-01 0.517E+00
RMM: 24 -0.408105313584E+03 -0.39561E+01 -0.17043E+00 13451 0.112E+00 0.505E+00
RMM: 25 -0.409324271972E+03 -0.12190E+01 -0.31645E-01 11546 0.521E-01 0.514E+00
RMM: 26 -0.409323462334E+03 0.80964E-03 -0.20757E-02 10692 0.147E-01 0.514E+00
RMM: 27 -0.409047119619E+03 0.27634E+00 -0.27456E-02 10430 0.200E-01 0.504E+00
RMM: 28 -0.408817195259E+03 0.22992E+00 -0.88545E-02 12149 0.371E-01 0.493E+00
RMM: 29 -0.408797576950E+03 0.19618E-01 -0.12966E-01 13297 0.426E-01 0.475E+00
RMM: 30 -0.408572987695E+03 0.22459E+00 -0.98777E-02 12507 0.398E-01 0.607E+00
RMM: 31 -0.409486262603E+03 -0.91327E+00 -0.13893E-01 12599 0.452E-01 0.470E+00
RMM: 32 -0.410531344277E+03 -0.10451E+01 -0.47834E-01 15132 0.729E-01 0.554E+00
RMM: 33 -0.411283247730E+03 -0.75190E+00 -0.11494E-01 12750 0.358E-01 0.563E+00
RMM: 34 -0.412050987470E+03 -0.76774E+00 -0.13274E-01 12764 0.410E-01 0.456E+00
RMM: 35 -0.412419824937E+03 -0.36884E+00 -0.48924E-02 11339 0.272E-01 0.273E+00
RMM: 36 -0.412492156113E+03 -0.72331E-01 -0.53126E-03 10233 0.922E-02 0.249E+00
RMM: 37 -0.412690335136E+03 -0.19818E+00 -0.17131E-02 11417 0.178E-01 0.214E+00
RMM: 38 -0.412812640494E+03 -0.12231E+00 -0.21763E-02 11870 0.196E-01 0.136E+00
RMM: 39 -0.412885043226E+03 -0.72403E-01 -0.99977E-03 10847 0.128E-01 0.123E+00
RMM: 40 -0.413012660215E+03 -0.12762E+00 -0.86512E-03 10844 0.116E-01 0.120E+00
RMM: 41 -0.413058093662E+03 -0.45433E-01 -0.53237E-03 10556 0.914E-02 0.105E+00
RMM: 42 -0.413173374552E+03 -0.11528E+00 -0.10524E-02 11611 0.113E-01 0.894E-01
RMM: 43 -0.413303884878E+03 -0.13051E+00 -0.89055E-03 11483 0.940E-02 0.681E-01
RMM: 44 -0.413385383821E+03 -0.81499E-01 -0.24934E-03 10611 0.532E-02 0.532E-01
RMM: 45 -0.413441437059E+03 -0.56053E-01 -0.20730E-03 10859 0.481E-02 0.432E-01
RMM: 46 -0.413522760133E+03 -0.81323E-01 -0.68896E-03 12485 0.818E-02 0.356E-01
RMM: 47 -0.413625928610E+03 -0.10317E+00 -0.12201E-02 13210 0.980E-02 0.383E-01
RMM: 48 -0.413713924176E+03 -0.87996E-01 -0.44359E-03 11801 0.568E-02 0.302E-01
RMM: 49 -0.413753330103E+03 -0.39406E-01 -0.12628E-03 10938 0.331E-02 0.234E-01
RMM: 50 -0.413800633088E+03 -0.47303E-01 -0.13786E-03 11240 0.305E-02 0.179E-01
RMM: 51 -0.413766656215E+03 0.33977E-01 -0.20207E-03 12176 0.404E-02 0.127E-01
RMM: 52 -0.413808885608E+03 -0.42229E-01 -0.10209E-03 11400 0.297E-02 0.107E-01
RMM: 53 -0.413836781687E+03 -0.27896E-01 -0.26206E-04 10329 0.145E-02 0.100E-01
RMM: 54 -0.413855869742E+03 -0.19088E-01 -0.97879E-05 9218 0.982E-03 0.714E-02
RMM: 55 -0.413873120719E+03 -0.17251E-01 -0.17141E-04 10811 0.133E-02 0.564E-02
RMM: 56 -0.413877907463E+03 -0.47867E-02 -0.62205E-05 9283 0.929E-03 0.352E-02
RMM: 57 -0.413879426774E+03 -0.15193E-02 -0.25739E-05 7415 0.556E-03 0.334E-02
RMM: 58 -0.413880390251E+03 -0.96348E-03 -0.11832E-05 6718 0.381E-03 0.266E-02
RMM: 59 -0.413881491467E+03 -0.11012E-02 -0.17327E-05 7040 0.395E-03 0.141E-02
RMM: 60 -0.413881954720E+03 -0.46325E-03 -0.92579E-06 6666 0.292E-03 0.106E-02
RMM: 61 -0.413882212357E+03 -0.25764E-03 -0.42305E-06 6408 0.209E-03 0.104E-02
RMM: 62 -0.413882481008E+03 -0.26865E-03 -0.44546E-06 5915 0.180E-03 0.833E-03
RMM: 63 -0.413882645680E+03 -0.16467E-03 -0.31743E-06 5566 0.155E-03 0.134E-02
RMM: 64 -0.413882698183E+03 -0.52503E-04 -0.16889E-06 4556 0.123E-03 0.623E-03
RMM: 65 -0.413882769042E+03 -0.70859E-04 -0.21266E-06 5044 0.132E-03 0.105E-02
RMM: 66 -0.413882859037E+03 -0.89995E-04 -0.86082E-07 3457 0.105E-03 0.105E-02
RMM: 67 -0.413882886389E+03 -0.27352E-04 -0.64244E-07 3405 0.100E-03 0.100E-02
RMM: 68 -0.413882903931E+03 -0.17542E-04 -0.46426E-07 3179 0.926E-04 0.460E-03
RMM: 69 -0.413882910073E+03 -0.61422E-05 -0.17428E-07 2651 0.856E-04
1 F= -.45163132E+03 E0= -.45163077E+03 d E =-.166184E-02 mag= -0.0026