iterations/neb1_max1_image03_iter2_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422336954785E+04 0.42234E+04 -0.25389E+05 9008 0.103E+03
DAV: 2 -0.105161474377E+03 -0.43285E+04 -0.39309E+04 11000 0.248E+02
DAV: 3 -0.426678585349E+03 -0.32152E+03 -0.30105E+03 10240 0.656E+01
DAV: 4 -0.435172897896E+03 -0.84943E+01 -0.83621E+01 10840 0.107E+01
DAV: 5 -0.435470720925E+03 -0.29782E+00 -0.29701E+00 11336 0.193E+00 0.102E+02
RMM: 6 -0.389615398802E+03 0.45855E+02 -0.10875E+02 9703 0.143E+01 0.733E+01
RMM: 7 -0.848659917450E+03 -0.45904E+03 -0.49579E+02 11514 0.201E+01 0.154E+02
RMM: 8 -0.501389332314E+03 0.34727E+03 -0.12100E+02 9998 0.116E+01 0.929E+01
RMM: 9 -0.422207182463E+03 0.79182E+02 -0.68723E+01 10159 0.107E+01 0.594E+01
RMM: 10 -0.390339905348E+03 0.31867E+02 -0.42711E+01 10341 0.858E+00 0.440E+01
RMM: 11 -0.382140115063E+03 0.81998E+01 -0.23391E+01 10303 0.565E+00 0.432E+01
RMM: 12 -0.374121655104E+03 0.80185E+01 -0.77361E+00 10028 0.367E+00 0.289E+01
RMM: 13 -0.374074149001E+03 0.47506E-01 -0.37164E+00 10154 0.260E+00 0.222E+01
RMM: 14 -0.373465265592E+03 0.60888E+00 -0.14510E+00 10147 0.160E+00 0.144E+01
RMM: 15 -0.378152426011E+03 -0.46872E+01 -0.13935E+00 10431 0.151E+00 0.129E+01
RMM: 16 -0.383452682159E+03 -0.53003E+01 -0.14486E+00 10581 0.156E+00 0.123E+01
RMM: 17 -0.390043299061E+03 -0.65906E+01 -0.27421E+00 11476 0.195E+00 0.970E+00
RMM: 18 -0.392203106902E+03 -0.21598E+01 -0.63596E-01 10339 0.998E-01 0.702E+00
RMM: 19 -0.393413182051E+03 -0.12101E+01 -0.21526E-01 10141 0.571E-01 0.617E+00
RMM: 20 -0.397033006172E+03 -0.36198E+01 -0.78073E-01 11669 0.961E-01 0.660E+00
RMM: 21 -0.399707775726E+03 -0.26748E+01 -0.73816E-01 11964 0.917E-01 0.628E+00
RMM: 22 -0.404209682806E+03 -0.45019E+01 -0.22011E+00 13072 0.138E+00 0.532E+00
RMM: 23 -0.408009940027E+03 -0.38003E+01 -0.14452E+00 12757 0.111E+00 0.611E+00
RMM: 24 -0.410296055085E+03 -0.22861E+01 -0.96172E-01 12269 0.863E-01 0.593E+00
RMM: 25 -0.410998818408E+03 -0.70276E+00 -0.87058E-02 10619 0.296E-01 0.553E+00
RMM: 26 -0.410873602339E+03 0.12522E+00 -0.18743E-02 10254 0.161E-01 0.539E+00
RMM: 27 -0.410455186855E+03 0.41842E+00 -0.48363E-02 10822 0.236E-01 0.515E+00
RMM: 28 -0.410105958192E+03 0.34923E+00 -0.74945E-02 11774 0.338E-01 0.554E+00
RMM: 29 -0.409657603750E+03 0.44835E+00 -0.12565E-01 12788 0.449E-01 0.608E+00
RMM: 30 -0.409959783676E+03 -0.30218E+00 -0.17001E-02 10315 0.181E-01 0.595E+00
RMM: 31 -0.412185639464E+03 -0.22259E+01 -0.11784E+00 16203 0.110E+00 0.644E+00
RMM: 32 -0.413922823857E+03 -0.17372E+01 -0.49281E-01 15534 0.688E-01 0.520E+00
RMM: 33 -0.415238559373E+03 -0.13157E+01 -0.39646E-01 15274 0.644E-01 0.458E+00
RMM: 34 -0.415412526083E+03 -0.17397E+00 -0.10024E-02 10593 0.143E-01 0.404E+00
RMM: 35 -0.415758278416E+03 -0.34575E+00 -0.40775E-02 12177 0.252E-01 0.345E+00
RMM: 36 -0.416060532706E+03 -0.30225E+00 -0.46667E-02 12630 0.261E-01 0.253E+00
RMM: 37 -0.416247670054E+03 -0.18714E+00 -0.18978E-02 11351 0.171E-01 0.208E+00
RMM: 38 -0.416454774750E+03 -0.20710E+00 -0.14242E-02 10855 0.149E-01 0.179E+00
RMM: 39 -0.416530410372E+03 -0.75636E-01 -0.12700E-02 10934 0.134E-01 0.150E+00
RMM: 40 -0.416647430389E+03 -0.11702E+00 -0.89360E-03 10863 0.106E-01 0.125E+00
RMM: 41 -0.416770332853E+03 -0.12290E+00 -0.50178E-03 10616 0.779E-02 0.103E+00
RMM: 42 -0.416943959213E+03 -0.17363E+00 -0.84060E-03 11568 0.941E-02 0.795E-01
RMM: 43 -0.417095674941E+03 -0.15172E+00 -0.90394E-03 11836 0.971E-02 0.708E-01
RMM: 44 -0.417148966871E+03 -0.53292E-01 -0.33346E-03 10817 0.641E-02 0.681E-01
RMM: 45 -0.417132773184E+03 0.16194E-01 -0.32536E-03 10967 0.605E-02 0.516E-01
RMM: 46 -0.417205932305E+03 -0.73159E-01 -0.60646E-03 11873 0.744E-02 0.430E-01
RMM: 47 -0.417280032340E+03 -0.74100E-01 -0.38340E-03 11398 0.596E-02 0.352E-01
RMM: 48 -0.417365852533E+03 -0.85820E-01 -0.49236E-03 11703 0.639E-02 0.240E-01
RMM: 49 -0.417410476900E+03 -0.44624E-01 -0.27250E-03 11251 0.464E-02 0.177E-01
RMM: 50 -0.417459549752E+03 -0.49073E-01 -0.31293E-03 11758 0.455E-02 0.161E-01
RMM: 51 -0.417482234866E+03 -0.22685E-01 -0.78783E-04 10913 0.273E-02 0.146E-01
RMM: 52 -0.417527785044E+03 -0.45550E-01 -0.78506E-04 11155 0.247E-02 0.117E-01
RMM: 53 -0.417561510724E+03 -0.33726E-01 -0.31956E-04 10779 0.188E-02 0.114E-01
RMM: 54 -0.417586197321E+03 -0.24687E-01 -0.17074E-04 9922 0.125E-02 0.117E-01
RMM: 55 -0.417602169646E+03 -0.15972E-01 -0.16187E-04 10191 0.113E-02 0.925E-02
RMM: 56 -0.417599835683E+03 0.23340E-02 -0.93374E-05 10254 0.113E-02 0.444E-02
RMM: 57 -0.417609900618E+03 -0.10065E-01 -0.12261E-04 9650 0.104E-02 0.341E-02
RMM: 58 -0.417612056219E+03 -0.21556E-02 -0.45628E-05 8439 0.616E-03 0.254E-02
RMM: 59 -0.417613337883E+03 -0.12817E-02 -0.39843E-05 7943 0.533E-03 0.168E-02
RMM: 60 -0.417613911169E+03 -0.57329E-03 -0.17655E-05 7084 0.364E-03 0.133E-02
RMM: 61 -0.417614036283E+03 -0.12511E-03 -0.58007E-06 6311 0.229E-03 0.756E-03
RMM: 62 -0.417614407647E+03 -0.37136E-03 -0.66022E-06 6072 0.206E-03 0.875E-03
RMM: 63 -0.417614586813E+03 -0.17917E-03 -0.28909E-06 4484 0.146E-03 0.669E-03
RMM: 64 -0.417614718475E+03 -0.13166E-03 -0.19494E-06 4318 0.129E-03 0.491E-03
RMM: 65 -0.417614793688E+03 -0.75213E-04 -0.17948E-06 4628 0.125E-03 0.324E-03
RMM: 66 -0.417614845396E+03 -0.51708E-04 -0.12566E-06 4010 0.106E-03 0.202E-03
RMM: 67 -0.417614884893E+03 -0.39497E-04 -0.47967E-07 2978 0.839E-04 0.137E-03
RMM: 68 -0.417614922474E+03 -0.37581E-04 -0.50199E-07 3168 0.860E-04 0.191E-03
RMM: 69 -0.417614929078E+03 -0.66042E-05 -0.26066E-07 2743 0.822E-04
1 F= -.45526566E+03 E0= -.45526616E+03 d E =0.152304E-02 mag= -0.0006