iterations/neb0_image04_iter2_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.428113190855E+04 0.42811E+04 -0.25436E+05 9040 0.103E+03
DAV: 2 -0.872205175142E+02 -0.43684E+04 -0.39689E+04 11032 0.249E+02
DAV: 3 -0.415797383485E+03 -0.32858E+03 -0.30685E+03 10248 0.660E+01
DAV: 4 -0.424517483207E+03 -0.87201E+01 -0.86247E+01 10744 0.109E+01
DAV: 5 -0.424818404677E+03 -0.30092E+00 -0.30017E+00 11160 0.194E+00 0.117E+02
RMM: 6 -0.377701887051E+03 0.47117E+02 -0.10936E+02 9687 0.145E+01 0.819E+01
RMM: 7 -0.112331512486E+04 -0.74561E+03 -0.85781E+02 12850 0.262E+01 0.174E+02
RMM: 8 -0.528392908009E+03 0.59492E+03 -0.15341E+02 9932 0.133E+01 0.105E+02
RMM: 9 -0.443462301308E+03 0.84931E+02 -0.90946E+01 10141 0.120E+01 0.738E+01
RMM: 10 -0.385152878329E+03 0.58309E+02 -0.48999E+01 10361 0.900E+00 0.435E+01
RMM: 11 -0.366065381002E+03 0.19087E+02 -0.22131E+01 10414 0.493E+00 0.435E+01
RMM: 12 -0.355894710810E+03 0.10171E+02 -0.82884E+00 10063 0.397E+00 0.236E+01
RMM: 13 -0.356018690362E+03 -0.12398E+00 -0.28269E+00 10340 0.218E+00 0.193E+01
RMM: 14 -0.357730825200E+03 -0.17121E+01 -0.13919E+00 10174 0.152E+00 0.165E+01
RMM: 15 -0.366500563054E+03 -0.87697E+01 -0.39874E+00 11757 0.260E+00 0.133E+01
RMM: 16 -0.371833922349E+03 -0.53334E+01 -0.14813E+00 10585 0.158E+00 0.157E+01
RMM: 17 -0.372996724880E+03 -0.11628E+01 -0.79649E-01 10298 0.116E+00 0.140E+01
RMM: 18 -0.376135424869E+03 -0.31387E+01 -0.11633E+00 11034 0.122E+00 0.116E+01
RMM: 19 -0.379809202762E+03 -0.36738E+01 -0.11711E+00 11463 0.122E+00 0.101E+01
RMM: 20 -0.384141045280E+03 -0.43318E+01 -0.10695E+00 11481 0.111E+00 0.921E+00
RMM: 21 -0.387196316963E+03 -0.30553E+01 -0.68343E-01 11271 0.896E-01 0.112E+01
RMM: 22 -0.388679371342E+03 -0.14831E+01 -0.68818E-01 11534 0.852E-01 0.993E+00
RMM: 23 -0.390671095243E+03 -0.19917E+01 -0.47439E-01 11539 0.689E-01 0.916E+00
RMM: 24 -0.394424209739E+03 -0.37531E+01 -0.20531E+00 13474 0.127E+00 0.762E+00
RMM: 25 -0.396152963613E+03 -0.17288E+01 -0.41605E-01 11796 0.611E-01 0.562E+00
RMM: 26 -0.396860446574E+03 -0.70748E+00 -0.44552E-02 10450 0.233E-01 0.557E+00
RMM: 27 -0.397167354204E+03 -0.30691E+00 -0.32681E-02 10653 0.174E-01 0.587E+00
RMM: 28 -0.398265170997E+03 -0.10978E+01 -0.32167E-01 13480 0.500E-01 0.679E+00
RMM: 29 -0.398725596784E+03 -0.46043E+00 -0.21847E-01 13400 0.455E-01 0.665E+00
RMM: 30 -0.399430018270E+03 -0.70442E+00 -0.15323E-01 12791 0.377E-01 0.661E+00
RMM: 31 -0.399717514959E+03 -0.28750E+00 -0.33926E-02 11157 0.210E-01 0.440E+00
RMM: 32 -0.400340412104E+03 -0.62290E+00 -0.92952E-02 12563 0.348E-01 0.774E+00
RMM: 33 -0.399821688868E+03 0.51872E+00 -0.14958E-02 10645 0.168E-01 0.662E+00
RMM: 34 -0.399948742087E+03 -0.12705E+00 -0.27728E-03 10414 0.854E-02 0.663E+00
RMM: 35 -0.400167973622E+03 -0.21923E+00 -0.86370E-02 15442 0.330E-01 0.755E+00
RMM: 36 -0.399790152779E+03 0.37782E+00 -0.11476E-01 15761 0.399E-01 0.763E+00
RMM: 37 -0.399854240120E+03 -0.64087E-01 -0.10782E-01 15643 0.353E-01 0.897E+00
RMM: 38 -0.399868818244E+03 -0.14578E-01 -0.66897E-02 14569 0.284E-01 0.932E+00
RMM: 39 -0.399964129626E+03 -0.95311E-01 -0.68915E-02 14797 0.300E-01 0.831E+00
RMM: 40 -0.400310623730E+03 -0.34649E+00 -0.35331E-02 13967 0.211E-01 0.742E+00
RMM: 41 -0.400641576651E+03 -0.33095E+00 -0.13555E-02 12163 0.133E-01 0.693E+00
RMM: 42 -0.400787829560E+03 -0.14625E+00 -0.16858E-02 12476 0.136E-01 0.625E+00
RMM: 43 -0.400982595803E+03 -0.19477E+00 -0.15653E-02 12381 0.127E-01 0.568E+00
RMM: 44 -0.401115699667E+03 -0.13310E+00 -0.84025E-03 11454 0.955E-02 0.538E+00
RMM: 45 -0.401184557091E+03 -0.68857E-01 -0.71942E-03 11263 0.797E-02 0.508E+00
RMM: 46 -0.401238895573E+03 -0.54338E-01 -0.91888E-03 11861 0.862E-02 0.472E+00
RMM: 47 -0.401291844654E+03 -0.52949E-01 -0.35052E-02 14240 0.158E-01 0.398E+00
RMM: 48 -0.401509709996E+03 -0.21787E+00 -0.55117E-02 15247 0.190E-01 0.332E+00
RMM: 49 -0.401818320722E+03 -0.30861E+00 -0.21714E-02 13711 0.133E-01 0.628E+00
RMM: 50 -0.401678414772E+03 0.13991E+00 -0.87820E-03 11579 0.157E-01 0.627E+00
RMM: 51 -0.401466991998E+03 0.21142E+00 -0.40638E-03 11412 0.839E-02 0.618E+00
RMM: 52 -0.401473801532E+03 -0.68095E-02 -0.12301E-03 10532 0.470E-02 0.627E+00
RMM: 53 -0.401465004600E+03 0.87969E-02 -0.14962E-03 10852 0.422E-02 0.614E+00
RMM: 54 -0.401451724131E+03 0.13280E-01 -0.26476E-04 10454 0.178E-02 0.602E+00
RMM: 55 -0.401462480596E+03 -0.10756E-01 -0.79667E-04 11361 0.275E-02 0.578E+00
RMM: 56 -0.401611327705E+03 -0.14885E+00 -0.11101E-02 14779 0.100E-01 0.569E+00
RMM: 57 -0.401694479158E+03 -0.83151E-01 -0.14651E-02 15468 0.106E-01 0.506E+00
RMM: 58 -0.401754958424E+03 -0.60479E-01 -0.77507E-03 14632 0.782E-02 0.463E+00
RMM: 59 -0.401859438143E+03 -0.10448E+00 -0.22446E-02 16095 0.130E-01 0.382E+00
RMM: 60 -0.401963218545E+03 -0.10378E+00 -0.43648E-02 16677 0.173E-01 0.277E+00
RMM: 61 -0.401995607733E+03 -0.32389E-01 -0.11711E-02 16126 0.969E-02 0.220E+00
RMM: 62 -0.402033287182E+03 -0.37679E-01 -0.67581E-03 15063 0.826E-02 0.215E+00
RMM: 63 -0.402088463905E+03 -0.55177E-01 -0.98259E-03 15367 0.943E-02 0.217E+00
RMM: 64 -0.402178299748E+03 -0.89836E-01 -0.10038E-02 15551 0.891E-02 0.244E+00
RMM: 65 -0.402244475963E+03 -0.66176E-01 -0.29449E-03 14240 0.507E-02 0.248E+00
RMM: 66 -0.402360252215E+03 -0.11578E+00 -0.10770E-02 15903 0.982E-02 0.256E+00
RMM: 67 -0.402442782307E+03 -0.82530E-01 -0.79445E-03 15836 0.865E-02 0.263E+00
RMM: 68 -0.402486669500E+03 -0.43887E-01 -0.10300E-02 16423 0.993E-02 0.239E+00
RMM: 69 -0.402562497238E+03 -0.75828E-01 -0.95417E-03 15404 0.864E-02 0.190E+00
RMM: 70 -0.402592399228E+03 -0.29902E-01 -0.96272E-03 15220 0.815E-02 0.144E+00
RMM: 71 -0.402580330652E+03 0.12069E-01 -0.53928E-03 14717 0.577E-02 0.106E+00
RMM: 72 -0.402590067350E+03 -0.97367E-02 -0.84371E-04 12460 0.297E-02 0.980E-01
RMM: 73 -0.402596589107E+03 -0.65218E-02 -0.50708E-03 14410 0.589E-02 0.515E-01
RMM: 74 -0.402630696665E+03 -0.34108E-01 -0.19488E-03 13331 0.410E-02 0.781E-01
RMM: 75 -0.402662656820E+03 -0.31960E-01 -0.10515E-03 12090 0.385E-02 0.585E-01
RMM: 76 -0.402748668263E+03 -0.86011E-01 -0.46714E-03 15128 0.631E-02 0.432E+00
RMM: 77 -0.402755776523E+03 -0.71083E-02 -0.26320E-03 12797 0.875E-02 0.488E+00
RMM: 78 -0.402697596914E+03 0.58180E-01 -0.13262E-03 11991 0.543E-02 0.365E+00
RMM: 79 -0.402714397379E+03 -0.16800E-01 -0.88527E-04 12124 0.324E-02 0.206E+00
RMM: 80 -0.402769281095E+03 -0.54884E-01 -0.13198E-03 12451 0.525E-02 0.350E+00
RMM: 81 -0.402758134521E+03 0.11147E-01 -0.95743E-04 12482 0.417E-02 0.343E+00
RMM: 82 -0.402749808611E+03 0.83259E-02 -0.27006E-04 10600 0.167E-02 0.258E+00
RMM: 83 -0.402747518348E+03 0.22903E-02 -0.53108E-04 10677 0.264E-02 0.126E+00
RMM: 84 -0.402760978334E+03 -0.13460E-01 -0.68365E-04 11107 0.445E-02 0.116E+00
RMM: 85 -0.402763520747E+03 -0.25424E-02 -0.17102E-04 9598 0.248E-02 0.885E-01
RMM: 86 -0.402760800615E+03 0.27201E-02 -0.24916E-04 9989 0.183E-02 0.337E-01
RMM: 87 -0.402760141777E+03 0.65884E-03 -0.31410E-04 10477 0.270E-02 0.207E-01
RMM: 88 -0.402763808387E+03 -0.36666E-02 -0.20194E-04 10063 0.186E-02 0.297E-01
RMM: 89 -0.402775627779E+03 -0.11819E-01 -0.12199E-04 9348 0.118E-02 0.263E-01
RMM: 90 -0.402791732255E+03 -0.16104E-01 -0.10038E-04 8918 0.103E-02 0.413E-01
RMM: 91 -0.402806521659E+03 -0.14789E-01 -0.49695E-05 7977 0.112E-02 0.447E-01
RMM: 92 -0.402817886194E+03 -0.11365E-01 -0.53028E-05 7900 0.779E-03 0.423E-01
RMM: 93 -0.402823360350E+03 -0.54742E-02 -0.56570E-05 7895 0.902E-03 0.250E-01
RMM: 94 -0.402826130802E+03 -0.27705E-02 -0.67341E-05 7936 0.113E-02 0.207E-01
RMM: 95 -0.402828279073E+03 -0.21483E-02 -0.39658E-05 7565 0.819E-03 0.117E-01
RMM: 96 -0.402829389117E+03 -0.11100E-02 -0.29831E-05 7329 0.756E-03 0.106E-01
RMM: 97 -0.402830035272E+03 -0.64615E-03 -0.18289E-05 7169 0.446E-03 0.785E-02
RMM: 98 -0.402830481126E+03 -0.44585E-03 -0.11863E-05 6473 0.329E-03 0.615E-02
RMM: 99 -0.402830813224E+03 -0.33210E-03 -0.94466E-06 6393 0.298E-03 0.229E-02
RMM: 100 -0.402831033868E+03 -0.22064E-03 -0.78070E-06 6193 0.390E-03 0.240E-02
RMM: 101 -0.402831149423E+03 -0.11556E-03 -0.31046E-06 5600 0.277E-03 0.155E-02
RMM: 102 -0.402831317110E+03 -0.16769E-03 -0.31170E-06 5264 0.180E-03 0.325E-02
RMM: 103 -0.402831365432E+03 -0.48322E-04 -0.16526E-06 4721 0.159E-03 0.218E-02
RMM: 104 -0.402831394167E+03 -0.28735E-04 -0.64815E-07 3764 0.105E-03 0.226E-02
RMM: 105 -0.402831408476E+03 -0.14309E-04 -0.34451E-07 3169 0.881E-04 0.214E-02
RMM: 106 -0.402831407925E+03 0.55100E-06 -0.10709E-07 2551 0.758E-04
1 F= -.44073135E+03 E0= -.44073173E+03 d E =0.115958E-02 mag= 0.0006