iterations/neb3_max1_image04_iter17_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422154065427E+04 0.42215E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.104733234810E+03 -0.43263E+04 -0.39298E+04 11016 0.248E+02
DAV: 3 -0.426364808645E+03 -0.32163E+03 -0.30115E+03 10312 0.655E+01
DAV: 4 -0.434876277536E+03 -0.85115E+01 -0.83581E+01 10864 0.107E+01
DAV: 5 -0.435163848894E+03 -0.28757E+00 -0.28690E+00 11216 0.192E+00 0.101E+02
RMM: 6 -0.389189964325E+03 0.45974E+02 -0.10700E+02 9691 0.143E+01 0.735E+01
RMM: 7 -0.840788810521E+03 -0.45160E+03 -0.48460E+02 11458 0.198E+01 0.153E+02
RMM: 8 -0.498191441550E+03 0.34260E+03 -0.12052E+02 10001 0.115E+01 0.920E+01
RMM: 9 -0.415454651206E+03 0.82737E+02 -0.68051E+01 10149 0.107E+01 0.572E+01
RMM: 10 -0.394470613648E+03 0.20984E+02 -0.42857E+01 10360 0.857E+00 0.452E+01
RMM: 11 -0.381953826541E+03 0.12517E+02 -0.22444E+01 10266 0.565E+00 0.415E+01
RMM: 12 -0.373052409315E+03 0.89014E+01 -0.72800E+00 9998 0.363E+00 0.262E+01
RMM: 13 -0.373936744773E+03 -0.88434E+00 -0.36928E+00 10157 0.257E+00 0.215E+01
RMM: 14 -0.373465304972E+03 0.47144E+00 -0.13711E+00 10148 0.156E+00 0.136E+01
RMM: 15 -0.378466540705E+03 -0.50012E+01 -0.15125E+00 10464 0.160E+00 0.127E+01
RMM: 16 -0.384259695784E+03 -0.57932E+01 -0.15654E+00 10615 0.163E+00 0.131E+01
RMM: 17 -0.389425689255E+03 -0.51660E+01 -0.22015E+00 11195 0.176E+00 0.966E+00
RMM: 18 -0.390958133877E+03 -0.15324E+01 -0.47211E-01 10196 0.880E-01 0.910E+00
RMM: 19 -0.390787223147E+03 0.17091E+00 -0.10626E-01 10276 0.380E-01 0.631E+00
RMM: 20 -0.394843810940E+03 -0.40566E+01 -0.68863E-01 11972 0.946E-01 0.694E+00
RMM: 21 -0.398883645104E+03 -0.40398E+01 -0.14779E+00 12985 0.125E+00 0.626E+00
RMM: 22 -0.403117164851E+03 -0.42335E+01 -0.14239E+00 12933 0.115E+00 0.550E+00
RMM: 23 -0.406728520650E+03 -0.36114E+01 -0.10857E+00 12749 0.974E-01 0.668E+00
RMM: 24 -0.409082647835E+03 -0.23541E+01 -0.91464E-01 12612 0.861E-01 0.742E+00
RMM: 25 -0.409886877724E+03 -0.80423E+00 -0.28357E-01 11505 0.484E-01 0.649E+00
RMM: 26 -0.409952156054E+03 -0.65278E-01 -0.13131E-02 10496 0.133E-01 0.630E+00
RMM: 27 -0.409846164424E+03 0.10599E+00 -0.15912E-02 10438 0.139E-01 0.696E+00
RMM: 28 -0.409559822680E+03 0.28634E+00 -0.83900E-03 10450 0.104E-01 0.739E+00
RMM: 29 -0.409301391708E+03 0.25843E+00 -0.62702E-03 10772 0.863E-02 0.765E+00
RMM: 30 -0.409226751981E+03 0.74640E-01 -0.83942E-04 10133 0.366E-02 0.765E+00
RMM: 31 -0.408921538934E+03 0.30521E+00 -0.56875E-02 15871 0.289E-01 0.671E+00
RMM: 32 -0.409220842549E+03 -0.29930E+00 -0.10283E-01 16962 0.372E-01 0.626E+00
RMM: 33 -0.409558146509E+03 -0.33730E+00 -0.32366E-03 11334 0.760E-02 0.632E+00
RMM: 34 -0.412155282183E+03 -0.25971E+01 -0.15228E+00 17920 0.128E+00 0.694E+00
RMM: 35 -0.413727413367E+03 -0.15721E+01 -0.71932E-01 17912 0.852E-01 0.444E+00
RMM: 36 -0.414544368142E+03 -0.81695E+00 -0.87252E-02 16639 0.316E-01 0.404E+00
RMM: 37 -0.414912429740E+03 -0.36806E+00 -0.63566E-02 16453 0.325E-01 0.358E+00
RMM: 38 -0.415427157246E+03 -0.51473E+00 -0.68826E-02 16570 0.306E-01 0.340E+00
RMM: 39 -0.415818091622E+03 -0.39093E+00 -0.53979E-02 16170 0.264E-01 0.229E+00
RMM: 40 -0.416192379971E+03 -0.37429E+00 -0.34300E-02 15554 0.218E-01 0.201E+00
RMM: 41 -0.416401009772E+03 -0.20863E+00 -0.11920E-02 13985 0.131E-01 0.168E+00
RMM: 42 -0.416521099492E+03 -0.12009E+00 -0.91719E-03 13459 0.115E-01 0.159E+00
RMM: 43 -0.416585754069E+03 -0.64655E-01 -0.10280E-02 13559 0.116E-01 0.141E+00
RMM: 44 -0.416693805715E+03 -0.10805E+00 -0.15733E-02 14130 0.136E-01 0.101E+00
RMM: 45 -0.416879739151E+03 -0.18593E+00 -0.14252E-02 13947 0.124E-01 0.891E-01
RMM: 46 -0.416963141108E+03 -0.83402E-01 -0.81039E-03 12753 0.934E-02 0.682E-01
RMM: 47 -0.417066141978E+03 -0.10300E+00 -0.47673E-03 11927 0.737E-02 0.466E-01
RMM: 48 -0.417113750235E+03 -0.47608E-01 -0.23658E-03 10942 0.578E-02 0.395E-01
RMM: 49 -0.417145771109E+03 -0.32021E-01 -0.40827E-03 11627 0.618E-02 0.363E-01
RMM: 50 -0.417202750392E+03 -0.56979E-01 -0.42719E-03 11835 0.605E-02 0.284E-01
RMM: 51 -0.417227162863E+03 -0.24412E-01 -0.43590E-03 12351 0.645E-02 0.222E-01
RMM: 52 -0.417252136001E+03 -0.24973E-01 -0.13346E-03 11092 0.381E-02 0.159E-01
RMM: 53 -0.417280483431E+03 -0.28347E-01 -0.11320E-03 11176 0.312E-02 0.151E-01
RMM: 54 -0.417328950562E+03 -0.48467E-01 -0.10105E-03 11375 0.274E-02 0.122E-01
RMM: 55 -0.417391050207E+03 -0.62100E-01 -0.85350E-04 11533 0.254E-02 0.118E-01
RMM: 56 -0.417424507595E+03 -0.33457E-01 -0.39713E-04 11049 0.184E-02 0.107E-01
RMM: 57 -0.417435520092E+03 -0.11012E-01 -0.30483E-04 11213 0.170E-02 0.651E-02
RMM: 58 -0.417440434704E+03 -0.49146E-02 -0.10980E-04 9347 0.958E-03 0.562E-02
RMM: 59 -0.417442132838E+03 -0.16981E-02 -0.47290E-05 8272 0.648E-03 0.416E-02
RMM: 60 -0.417443083252E+03 -0.95041E-03 -0.28747E-05 7473 0.504E-03 0.336E-02
RMM: 61 -0.417439420127E+03 0.36631E-02 -0.13878E-04 8996 0.100E-02 0.301E-02
RMM: 62 -0.417442843218E+03 -0.34231E-02 -0.44216E-05 7708 0.574E-03 0.169E-02
RMM: 63 -0.417443798345E+03 -0.95513E-03 -0.19358E-05 7163 0.371E-03 0.146E-02
RMM: 64 -0.417444287455E+03 -0.48911E-03 -0.11949E-05 6852 0.310E-03 0.148E-02
RMM: 65 -0.417444842537E+03 -0.55508E-03 -0.10236E-05 6439 0.237E-03 0.129E-02
RMM: 66 -0.417445122682E+03 -0.28015E-03 -0.52497E-06 6568 0.207E-03 0.650E-03
RMM: 67 -0.417445287288E+03 -0.16461E-03 -0.27207E-06 4815 0.147E-03 0.618E-03
RMM: 68 -0.417445405459E+03 -0.11817E-03 -0.12515E-06 3633 0.111E-03 0.481E-03
RMM: 69 -0.417445487171E+03 -0.81712E-04 -0.12526E-06 3985 0.113E-03 0.204E-03
RMM: 70 -0.417445502568E+03 -0.15397E-04 -0.40486E-07 2981 0.934E-04 0.170E-03
RMM: 71 -0.417445507659E+03 -0.50906E-05 -0.40731E-07 3257 0.972E-04
1 F= -.45511495E+03 E0= -.45511572E+03 d E =0.231558E-02 mag= -0.0008