iterations/neb3_max2_image05_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422741396282E+04 0.42274E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.102465687845E+03 -0.43299E+04 -0.39256E+04 10984 0.248E+02
DAV: 3 -0.425617471885E+03 -0.32315E+03 -0.30256E+03 10248 0.658E+01
DAV: 4 -0.434188194874E+03 -0.85707E+01 -0.84603E+01 10912 0.108E+01
DAV: 5 -0.434479677453E+03 -0.29148E+00 -0.29069E+00 11040 0.193E+00 0.987E+01
RMM: 6 -0.378674903430E+03 0.55805E+02 -0.11397E+02 9689 0.146E+01 0.682E+01
RMM: 7 -0.560638709875E+03 -0.18196E+03 -0.20784E+02 10277 0.160E+01 0.103E+02
RMM: 8 -0.517204478836E+03 0.43434E+02 -0.10672E+02 10292 0.114E+01 0.886E+01
RMM: 9 -0.395955089437E+03 0.12125E+03 -0.44420E+01 10171 0.807E+00 0.419E+01
RMM: 10 -0.426883979010E+03 -0.30929E+02 -0.49378E+01 10548 0.863E+00 0.588E+01
RMM: 11 -0.379737803549E+03 0.47146E+02 -0.11817E+01 9645 0.470E+00 0.299E+01
RMM: 12 -0.374864373060E+03 0.48734E+01 -0.69478E+00 10232 0.326E+00 0.226E+01
RMM: 13 -0.377284212646E+03 -0.24198E+01 -0.27839E+00 10286 0.211E+00 0.157E+01
RMM: 14 -0.379235998259E+03 -0.19518E+01 -0.13295E+00 10300 0.147E+00 0.111E+01
RMM: 15 -0.383027379469E+03 -0.37914E+01 -0.84266E-01 10281 0.121E+00 0.108E+01
RMM: 16 -0.386218642266E+03 -0.31913E+01 -0.11462E+00 10771 0.136E+00 0.972E+00
RMM: 17 -0.390168728337E+03 -0.39501E+01 -0.10107E+00 10875 0.120E+00 0.689E+00
RMM: 18 -0.393248458619E+03 -0.30797E+01 -0.61618E-01 10747 0.924E-01 0.649E+00
RMM: 19 -0.397640922936E+03 -0.43925E+01 -0.13431E+00 11867 0.120E+00 0.618E+00
RMM: 20 -0.399500440647E+03 -0.18595E+01 -0.43565E-01 11044 0.699E-01 0.549E+00
RMM: 21 -0.400672254585E+03 -0.11718E+01 -0.20142E-01 10792 0.470E-01 0.511E+00
RMM: 22 -0.406254015215E+03 -0.55818E+01 -0.39207E+00 14382 0.173E+00 0.655E+00
RMM: 23 -0.408666703863E+03 -0.24127E+01 -0.20453E+00 13942 0.121E+00 0.749E+00
RMM: 24 -0.409469530493E+03 -0.80283E+00 -0.33674E-01 11755 0.556E-01 0.658E+00
RMM: 25 -0.410457529833E+03 -0.98800E+00 -0.94183E-02 10740 0.310E-01 0.631E+00
RMM: 26 -0.411148415834E+03 -0.69089E+00 -0.61999E-02 10765 0.236E-01 0.628E+00
RMM: 27 -0.411543644436E+03 -0.39523E+00 -0.12176E-01 11731 0.354E-01 0.552E+00
RMM: 28 -0.411722739496E+03 -0.17910E+00 -0.19879E-01 12921 0.546E-01 0.392E+00
RMM: 29 -0.412638749283E+03 -0.91601E+00 -0.57430E-02 10979 0.308E-01 0.346E+00
RMM: 30 -0.413487920415E+03 -0.84917E+00 -0.45387E-02 10728 0.264E-01 0.253E+00
RMM: 31 -0.414397605465E+03 -0.90969E+00 -0.11802E-01 11976 0.368E-01 0.218E+00
RMM: 32 -0.414983663641E+03 -0.58606E+00 -0.37359E-02 10738 0.224E-01 0.172E+00
RMM: 33 -0.415280066489E+03 -0.29640E+00 -0.16248E-02 10447 0.149E-01 0.143E+00
RMM: 34 -0.415404885266E+03 -0.12482E+00 -0.10458E-02 10574 0.114E-01 0.132E+00
RMM: 35 -0.415445715054E+03 -0.40830E-01 -0.99900E-03 10841 0.115E-01 0.102E+00
RMM: 36 -0.415535165156E+03 -0.89450E-01 -0.74145E-03 10757 0.997E-02 0.796E-01
RMM: 37 -0.415596904341E+03 -0.61739E-01 -0.20088E-03 10342 0.504E-02 0.692E-01
RMM: 38 -0.415619942864E+03 -0.23039E-01 -0.23775E-03 10756 0.581E-02 0.611E-01
RMM: 39 -0.415680779381E+03 -0.60837E-01 -0.31605E-03 11324 0.622E-02 0.517E-01
RMM: 40 -0.415755450428E+03 -0.74671E-01 -0.23892E-03 11184 0.523E-02 0.483E-01
RMM: 41 -0.415842572155E+03 -0.87122E-01 -0.47661E-03 12071 0.656E-02 0.356E-01
RMM: 42 -0.415925069311E+03 -0.82497E-01 -0.55165E-03 12180 0.658E-02 0.394E-01
RMM: 43 -0.416038021420E+03 -0.11295E+00 -0.56191E-03 12106 0.595E-02 0.285E-01
RMM: 44 -0.416108323282E+03 -0.70302E-01 -0.27476E-03 11532 0.427E-02 0.202E-01
RMM: 45 -0.416156467436E+03 -0.48144E-01 -0.20028E-03 11519 0.348E-02 0.136E-01
RMM: 46 -0.416203319970E+03 -0.46853E-01 -0.14107E-03 11424 0.288E-02 0.119E-01
RMM: 47 -0.416241638561E+03 -0.38319E-01 -0.88909E-04 11231 0.219E-02 0.886E-02
RMM: 48 -0.416253451345E+03 -0.11813E-01 -0.20893E-04 10074 0.126E-02 0.690E-02
RMM: 49 -0.416259403554E+03 -0.59522E-02 -0.10631E-04 9460 0.964E-03 0.453E-02
RMM: 50 -0.416262576492E+03 -0.31729E-02 -0.48643E-05 8452 0.655E-03 0.316E-02
RMM: 51 -0.416264556344E+03 -0.19799E-02 -0.35775E-05 7888 0.567E-03 0.212E-02
RMM: 52 -0.416264997559E+03 -0.44121E-03 -0.14474E-05 7010 0.355E-03 0.184E-02
RMM: 53 -0.416265343503E+03 -0.34594E-03 -0.83109E-06 6682 0.256E-03 0.137E-02
RMM: 54 -0.416265646606E+03 -0.30310E-03 -0.68526E-06 6480 0.217E-03 0.124E-02
RMM: 55 -0.416265830941E+03 -0.18434E-03 -0.23325E-06 5076 0.151E-03 0.109E-02
RMM: 56 -0.416265947998E+03 -0.11706E-03 -0.68352E-07 3976 0.114E-03 0.631E-03
RMM: 57 -0.416266168555E+03 -0.22056E-03 -0.12189E-06 4306 0.116E-03 0.616E-03
RMM: 58 -0.416266312202E+03 -0.14365E-03 -0.91178E-07 3858 0.106E-03 0.475E-03
RMM: 59 -0.416266519403E+03 -0.20720E-03 -0.17138E-06 4836 0.128E-03 0.272E-03
RMM: 60 -0.416266709559E+03 -0.19016E-03 -0.65487E-07 3540 0.965E-04 0.175E-03
RMM: 61 -0.416266886544E+03 -0.17698E-03 -0.86897E-07 3791 0.101E-03 0.188E-03
RMM: 62 -0.416266957133E+03 -0.70590E-04 -0.47922E-07 3291 0.915E-04 0.560E-03
RMM: 63 -0.416266986657E+03 -0.29524E-04 -0.18913E-07 2730 0.826E-04 0.299E-03
RMM: 64 -0.416267022036E+03 -0.35379E-04 -0.34073E-07 3044 0.889E-04 0.231E-03
RMM: 65 -0.416267042078E+03 -0.20042E-04 -0.24749E-07 2799 0.850E-04 0.334E-03
RMM: 66 -0.416267055269E+03 -0.13191E-04 -0.18465E-07 2725 0.827E-04 0.186E-03
RMM: 67 -0.416267067531E+03 -0.12262E-04 -0.12875E-07 2558 0.802E-04 0.190E-03
RMM: 68 -0.416267077490E+03 -0.99584E-05 -0.22248E-07 2725 0.817E-04
1 F= -.45398453E+03 E0= -.45398401E+03 d E =-.156023E-02 mag= -0.0003