iterations/neb2_max1_image04_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421982155341E+04 0.42198E+04 -0.25384E+05 9008 0.103E+03
DAV: 2 -0.105477893596E+03 -0.43253E+04 -0.39266E+04 11008 0.248E+02
DAV: 3 -0.426869446800E+03 -0.32139E+03 -0.30085E+03 10264 0.656E+01
DAV: 4 -0.435385770329E+03 -0.85163E+01 -0.84139E+01 10920 0.107E+01
DAV: 5 -0.435663582341E+03 -0.27781E+00 -0.27716E+00 11216 0.187E+00 0.101E+02
RMM: 6 -0.387700105694E+03 0.47963E+02 -0.10898E+02 9703 0.144E+01 0.722E+01
RMM: 7 -0.771340353774E+03 -0.38364E+03 -0.42065E+02 11270 0.190E+01 0.144E+02
RMM: 8 -0.501104480680E+03 0.27024E+03 -0.11761E+02 10095 0.114E+01 0.919E+01
RMM: 9 -0.404156547124E+03 0.96948E+02 -0.69627E+01 10193 0.108E+01 0.525E+01
RMM: 10 -0.399196341370E+03 0.49602E+01 -0.44221E+01 10308 0.864E+00 0.477E+01
RMM: 11 -0.388563301228E+03 0.10633E+02 -0.24286E+01 10246 0.600E+00 0.458E+01
RMM: 12 -0.375137635696E+03 0.13426E+02 -0.78159E+00 9954 0.376E+00 0.279E+01
RMM: 13 -0.375229187303E+03 -0.91552E-01 -0.31039E+00 10138 0.237E+00 0.236E+01
RMM: 14 -0.374307931562E+03 0.92126E+00 -0.12310E+00 10108 0.149E+00 0.154E+01
RMM: 15 -0.377543137210E+03 -0.32352E+01 -0.12589E+00 10458 0.146E+00 0.122E+01
RMM: 16 -0.383245756173E+03 -0.57026E+01 -0.13088E+00 10612 0.150E+00 0.146E+01
RMM: 17 -0.387019717554E+03 -0.37740E+01 -0.15719E+00 10939 0.152E+00 0.102E+01
RMM: 18 -0.390337506196E+03 -0.33178E+01 -0.78941E-01 10525 0.108E+00 0.723E+00
RMM: 19 -0.394291450032E+03 -0.39539E+01 -0.77240E-01 10921 0.102E+00 0.680E+00
RMM: 20 -0.397411736917E+03 -0.31203E+01 -0.88563E-01 11398 0.107E+00 0.732E+00
RMM: 21 -0.400491588276E+03 -0.30799E+01 -0.11789E+00 11850 0.112E+00 0.694E+00
RMM: 22 -0.403008364457E+03 -0.25168E+01 -0.73435E-01 11581 0.863E-01 0.649E+00
RMM: 23 -0.407307924326E+03 -0.42996E+01 -0.19277E+00 12840 0.123E+00 0.667E+00
RMM: 24 -0.409236811907E+03 -0.19289E+01 -0.60858E-01 11796 0.711E-01 0.688E+00
RMM: 25 -0.409663508663E+03 -0.42670E+00 -0.11403E-01 10770 0.319E-01 0.633E+00
RMM: 26 -0.410074153459E+03 -0.41064E+00 -0.33123E-02 10624 0.167E-01 0.623E+00
RMM: 27 -0.410270842378E+03 -0.19669E+00 -0.10701E-02 10705 0.895E-02 0.622E+00
RMM: 28 -0.409959526742E+03 0.31132E+00 -0.17556E-02 10849 0.149E-01 0.564E+00
RMM: 29 -0.409406305176E+03 0.55322E+00 -0.17679E-01 14205 0.455E-01 0.522E+00
RMM: 30 -0.409732543447E+03 -0.32624E+00 -0.27782E-01 15661 0.595E-01 0.586E+00
RMM: 31 -0.409124580034E+03 0.60796E+00 -0.74660E-02 13758 0.349E-01 0.702E+00
RMM: 32 -0.411572309640E+03 -0.24477E+01 -0.82435E-01 16584 0.994E-01 0.627E+00
RMM: 33 -0.412796262954E+03 -0.12240E+01 -0.39091E-01 16176 0.625E-01 0.620E+00
RMM: 34 -0.415054326421E+03 -0.22581E+01 -0.51400E-01 16373 0.690E-01 0.529E+00
RMM: 35 -0.415297213983E+03 -0.24289E+00 -0.11005E-01 14402 0.374E-01 0.450E+00
RMM: 36 -0.415420645370E+03 -0.12343E+00 -0.15935E-02 11226 0.167E-01 0.390E+00
RMM: 37 -0.415808386342E+03 -0.38774E+00 -0.30640E-02 11924 0.227E-01 0.371E+00
RMM: 38 -0.416149063982E+03 -0.34068E+00 -0.47973E-02 12683 0.269E-01 0.329E+00
RMM: 39 -0.416249158078E+03 -0.10009E+00 -0.21770E-02 11614 0.176E-01 0.246E+00
RMM: 40 -0.416530913210E+03 -0.28176E+00 -0.16282E-02 11243 0.149E-01 0.155E+00
RMM: 41 -0.416801266900E+03 -0.27035E+00 -0.59226E-03 10479 0.936E-02 0.146E+00
RMM: 42 -0.416870212647E+03 -0.68946E-01 -0.51936E-03 10658 0.800E-02 0.159E+00
RMM: 43 -0.416878267627E+03 -0.80550E-02 -0.69102E-03 11297 0.870E-02 0.146E+00
RMM: 44 -0.416977367630E+03 -0.99100E-01 -0.82572E-03 11738 0.930E-02 0.109E+00
RMM: 45 -0.417155660367E+03 -0.17829E+00 -0.13854E-02 12553 0.115E-01 0.754E-01
RMM: 46 -0.417254606584E+03 -0.98946E-01 -0.93129E-03 12007 0.927E-02 0.631E-01
RMM: 47 -0.417328459228E+03 -0.73853E-01 -0.70012E-03 11517 0.883E-02 0.466E-01
RMM: 48 -0.417379645808E+03 -0.51187E-01 -0.50387E-03 11226 0.695E-02 0.370E-01
RMM: 49 -0.417419412979E+03 -0.39767E-01 -0.51261E-03 11540 0.639E-02 0.369E-01
RMM: 50 -0.417504063364E+03 -0.84650E-01 -0.44464E-03 11410 0.632E-02 0.340E-01
RMM: 51 -0.417529136504E+03 -0.25073E-01 -0.40718E-03 11639 0.633E-02 0.308E-01
RMM: 52 -0.417574835111E+03 -0.45699E-01 -0.16042E-03 10910 0.425E-02 0.155E-01
RMM: 53 -0.417596645767E+03 -0.21811E-01 -0.10481E-03 10888 0.318E-02 0.127E-01
RMM: 54 -0.417629737093E+03 -0.33091E-01 -0.80880E-04 10959 0.279E-02 0.135E-01
RMM: 55 -0.417674768032E+03 -0.45031E-01 -0.70921E-04 11182 0.238E-02 0.200E-01
RMM: 56 -0.417682344257E+03 -0.75762E-02 -0.15904E-04 10171 0.135E-02 0.181E-01
RMM: 57 -0.417712574824E+03 -0.30231E-01 -0.38207E-04 11550 0.180E-02 0.889E-02
RMM: 58 -0.417737777627E+03 -0.25203E-01 -0.26086E-04 11172 0.142E-02 0.448E-02
RMM: 59 -0.417743629782E+03 -0.58522E-02 -0.86126E-05 9485 0.941E-03 0.531E-02
RMM: 60 -0.417745798690E+03 -0.21689E-02 -0.58685E-05 8621 0.752E-03 0.394E-02
RMM: 61 -0.417746701390E+03 -0.90270E-03 -0.66345E-05 8889 0.818E-03 0.247E-02
RMM: 62 -0.417747692642E+03 -0.99125E-03 -0.15348E-05 6856 0.405E-03 0.169E-02
RMM: 63 -0.417748565342E+03 -0.87270E-03 -0.16191E-05 7022 0.343E-03 0.234E-02
RMM: 64 -0.417748927864E+03 -0.36252E-03 -0.68677E-06 6540 0.230E-03 0.121E-02
RMM: 65 -0.417749160407E+03 -0.23254E-03 -0.30467E-06 4917 0.154E-03 0.691E-03
RMM: 66 -0.417749191735E+03 -0.31328E-04 -0.14107E-06 4349 0.128E-03 0.522E-03
RMM: 67 -0.417749292550E+03 -0.10081E-03 -0.73750E-07 3372 0.106E-03 0.625E-03
RMM: 68 -0.417749385174E+03 -0.92624E-04 -0.12534E-06 4386 0.118E-03 0.602E-03
RMM: 69 -0.417749474398E+03 -0.89225E-04 -0.78540E-07 3653 0.994E-04 0.343E-03
RMM: 70 -0.417749541152E+03 -0.66754E-04 -0.10305E-06 3969 0.103E-03 0.233E-03
RMM: 71 -0.417749591232E+03 -0.50079E-04 -0.27987E-07 2817 0.806E-04 0.105E-03
RMM: 72 -0.417749611804E+03 -0.20572E-04 -0.15550E-07 2571 0.794E-04 0.111E-03
RMM: 73 -0.417749630999E+03 -0.19195E-04 -0.19400E-07 2652 0.843E-04 0.464E-03
RMM: 74 -0.417749632326E+03 -0.13273E-05 -0.48442E-09 2067 0.757E-04
1 F= -.45539165E+03 E0= -.45539216E+03 d E =0.153480E-02 mag= 0.0002