iterations/neb3_max1_image04_iter4_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422430207067E+04 0.42243E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104150383603E+03 -0.43285E+04 -0.39299E+04 11000 0.248E+02
DAV: 3 -0.426058296661E+03 -0.32191E+03 -0.30138E+03 10304 0.656E+01
DAV: 4 -0.434520811230E+03 -0.84625E+01 -0.83553E+01 10888 0.107E+01
DAV: 5 -0.434809503969E+03 -0.28869E+00 -0.28787E+00 11248 0.191E+00 0.102E+02
RMM: 6 -0.380654013081E+03 0.54155E+02 -0.10850E+02 9707 0.142E+01 0.695E+01
RMM: 7 -0.680161290930E+03 -0.29951E+03 -0.30931E+02 10776 0.178E+01 0.130E+02
RMM: 8 -0.519381644256E+03 0.16078E+03 -0.12003E+02 10249 0.115E+01 0.927E+01
RMM: 9 -0.391992420840E+03 0.12739E+03 -0.62854E+01 10230 0.101E+01 0.433E+01
RMM: 10 -0.383727871202E+03 0.82645E+01 -0.33557E+01 10171 0.757E+00 0.333E+01
RMM: 11 -0.399888385459E+03 -0.16161E+02 -0.19076E+01 10286 0.547E+00 0.489E+01
RMM: 12 -0.377170332306E+03 0.22718E+02 -0.59401E+00 9732 0.343E+00 0.264E+01
RMM: 13 -0.374364170875E+03 0.28062E+01 -0.23404E+00 10057 0.201E+00 0.193E+01
RMM: 14 -0.376307896924E+03 -0.19437E+01 -0.15627E+00 10354 0.162E+00 0.127E+01
RMM: 15 -0.381541515505E+03 -0.52336E+01 -0.14597E+00 10540 0.156E+00 0.165E+01
RMM: 16 -0.384894258686E+03 -0.33527E+01 -0.11334E+00 10558 0.138E+00 0.185E+01
RMM: 17 -0.386174116421E+03 -0.12799E+01 -0.64551E-01 10257 0.103E+00 0.148E+01
RMM: 18 -0.388687765103E+03 -0.25136E+01 -0.95709E-01 11037 0.115E+00 0.944E+00
RMM: 19 -0.392115262216E+03 -0.34275E+01 -0.76126E-01 11014 0.105E+00 0.629E+00
RMM: 20 -0.396403461453E+03 -0.42882E+01 -0.11308E+00 11600 0.120E+00 0.630E+00
RMM: 21 -0.398968526288E+03 -0.25651E+01 -0.68983E-01 11263 0.918E-01 0.540E+00
RMM: 22 -0.402709675968E+03 -0.37411E+01 -0.10692E+00 11922 0.101E+00 0.507E+00
RMM: 23 -0.407115065468E+03 -0.44054E+01 -0.17399E+00 12704 0.118E+00 0.489E+00
RMM: 24 -0.410829635671E+03 -0.37146E+01 -0.21393E+00 13272 0.124E+00 0.601E+00
RMM: 25 -0.412510786985E+03 -0.16812E+01 -0.69664E-01 11909 0.728E-01 0.566E+00
RMM: 26 -0.412942378713E+03 -0.43159E+00 -0.39495E-02 10675 0.208E-01 0.547E+00
RMM: 27 -0.413064998129E+03 -0.12262E+00 -0.11810E-02 10891 0.995E-02 0.545E+00
RMM: 28 -0.413785985959E+03 -0.72099E+00 -0.14452E-01 13263 0.355E-01 0.501E+00
RMM: 29 -0.414108334019E+03 -0.32235E+00 -0.33360E-01 15376 0.652E-01 0.407E+00
RMM: 30 -0.414358266856E+03 -0.24993E+00 -0.63750E-02 12533 0.305E-01 0.347E+00
RMM: 31 -0.414956478191E+03 -0.59821E+00 -0.58681E-02 12218 0.298E-01 0.296E+00
RMM: 32 -0.415685177044E+03 -0.72870E+00 -0.65548E-02 12535 0.317E-01 0.265E+00
RMM: 33 -0.415995445816E+03 -0.31027E+00 -0.48363E-02 11993 0.273E-01 0.232E+00
RMM: 34 -0.416057897037E+03 -0.62451E-01 -0.17787E-02 10823 0.170E-01 0.206E+00
RMM: 35 -0.416197990796E+03 -0.14009E+00 -0.84931E-03 10432 0.113E-01 0.177E+00
RMM: 36 -0.416326746594E+03 -0.12876E+00 -0.62106E-03 10500 0.917E-02 0.155E+00
RMM: 37 -0.416401235051E+03 -0.74488E-01 -0.79022E-03 11041 0.995E-02 0.117E+00
RMM: 38 -0.416489384472E+03 -0.88149E-01 -0.30688E-03 10500 0.601E-02 0.101E+00
RMM: 39 -0.416572209666E+03 -0.82825E-01 -0.44567E-03 11194 0.677E-02 0.871E-01
RMM: 40 -0.416637457019E+03 -0.65247E-01 -0.74775E-03 12166 0.848E-02 0.714E-01
RMM: 41 -0.416697188619E+03 -0.59732E-01 -0.70786E-03 12178 0.815E-02 0.602E-01
RMM: 42 -0.416778100977E+03 -0.80912E-01 -0.77449E-03 12210 0.827E-02 0.431E-01
RMM: 43 -0.416845725362E+03 -0.67624E-01 -0.60413E-03 11864 0.737E-02 0.444E-01
RMM: 44 -0.416890044835E+03 -0.44319E-01 -0.21917E-03 11017 0.464E-02 0.411E-01
RMM: 45 -0.416973204924E+03 -0.83160E-01 -0.34369E-03 11560 0.510E-02 0.315E-01
RMM: 46 -0.417050393389E+03 -0.77188E-01 -0.42622E-03 11926 0.545E-02 0.273E-01
RMM: 47 -0.417115058439E+03 -0.64665E-01 -0.27121E-03 11630 0.412E-02 0.228E-01
RMM: 48 -0.417140649560E+03 -0.25591E-01 -0.94027E-04 11057 0.274E-02 0.162E-01
RMM: 49 -0.417158798808E+03 -0.18149E-01 -0.73830E-04 11180 0.246E-02 0.114E-01
RMM: 50 -0.417174435192E+03 -0.15636E-01 -0.34619E-04 10799 0.169E-02 0.947E-02
RMM: 51 -0.417189080006E+03 -0.14645E-01 -0.35949E-04 11262 0.175E-02 0.621E-02
RMM: 52 -0.417199929779E+03 -0.10850E-01 -0.14273E-04 10164 0.115E-02 0.528E-02
RMM: 53 -0.417206715050E+03 -0.67853E-02 -0.10568E-04 9267 0.890E-03 0.489E-02
RMM: 54 -0.417209367720E+03 -0.26527E-02 -0.70675E-05 8676 0.714E-03 0.368E-02
RMM: 55 -0.417209954888E+03 -0.58717E-03 -0.19985E-05 7321 0.433E-03 0.263E-02
RMM: 56 -0.417209849596E+03 0.10529E-03 -0.87062E-06 6339 0.317E-03 0.140E-02
RMM: 57 -0.417210024959E+03 -0.17536E-03 -0.45005E-06 6303 0.227E-03 0.115E-02
RMM: 58 -0.417210272608E+03 -0.24765E-03 -0.48164E-06 6325 0.201E-03 0.853E-03
RMM: 59 -0.417210431283E+03 -0.15868E-03 -0.26727E-06 4808 0.150E-03 0.516E-03
RMM: 60 -0.417210577236E+03 -0.14595E-03 -0.25617E-06 4931 0.140E-03 0.326E-03
RMM: 61 -0.417210781386E+03 -0.20415E-03 -0.21706E-06 4253 0.120E-03 0.349E-03
RMM: 62 -0.417210962867E+03 -0.18148E-03 -0.15468E-06 3889 0.112E-03 0.342E-03
RMM: 63 -0.417211068915E+03 -0.10605E-03 -0.10863E-06 3617 0.105E-03 0.281E-03
RMM: 64 -0.417211162312E+03 -0.93397E-04 -0.96678E-07 3664 0.103E-03 0.234E-03
RMM: 65 -0.417211214206E+03 -0.51894E-04 -0.42201E-07 3066 0.913E-04 0.167E-03
RMM: 66 -0.417211254438E+03 -0.40232E-04 -0.41497E-07 3052 0.916E-04 0.982E-04
RMM: 67 -0.417211304674E+03 -0.50236E-04 -0.25081E-07 2778 0.886E-04 0.293E-03
RMM: 68 -0.417211314620E+03 -0.99460E-05 -0.31815E-08 2249 0.810E-04
1 F= -.45488468E+03 E0= -.45488551E+03 d E =0.248934E-02 mag= 0.0008