iterations/neb3_max1_image03_iter23_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.420794186014E+04 0.42079E+04 -0.25374E+05 9008 0.103E+03
DAV: 2 -0.106550434151E+03 -0.43145E+04 -0.39152E+04 11000 0.247E+02
DAV: 3 -0.427638549014E+03 -0.32109E+03 -0.29994E+03 10248 0.654E+01
DAV: 4 -0.436078494661E+03 -0.84399E+01 -0.83466E+01 10768 0.106E+01
DAV: 5 -0.436356217704E+03 -0.27772E+00 -0.27705E+00 11120 0.189E+00 0.986E+01
RMM: 6 -0.385074928249E+03 0.51281E+02 -0.11079E+02 9694 0.145E+01 0.713E+01
RMM: 7 -0.531642005948E+03 -0.14657E+03 -0.16999E+02 10179 0.144E+01 0.956E+01
RMM: 8 -0.536645352832E+03 -0.50033E+01 -0.11407E+02 10370 0.120E+01 0.919E+01
RMM: 9 -0.417325816182E+03 0.11932E+03 -0.51729E+01 10259 0.825E+00 0.580E+01
RMM: 10 -0.400459682195E+03 0.16866E+02 -0.43212E+01 10317 0.830E+00 0.469E+01
RMM: 11 -0.380387375716E+03 0.20072E+02 -0.76224E+00 9702 0.387E+00 0.326E+01
RMM: 12 -0.373657926282E+03 0.67294E+01 -0.59530E+00 10159 0.316E+00 0.229E+01
RMM: 13 -0.372759380083E+03 0.89855E+00 -0.48150E+00 10408 0.257E+00 0.194E+01
RMM: 14 -0.374328001171E+03 -0.15686E+01 -0.14984E+00 10081 0.155E+00 0.130E+01
RMM: 15 -0.377221468383E+03 -0.28935E+01 -0.10744E+00 10184 0.136E+00 0.110E+01
RMM: 16 -0.381465083497E+03 -0.42436E+01 -0.10636E+00 10561 0.135E+00 0.897E+00
RMM: 17 -0.390886661297E+03 -0.94216E+01 -0.29817E+00 11905 0.198E+00 0.886E+00
RMM: 18 -0.393609171061E+03 -0.27225E+01 -0.98254E-01 10853 0.119E+00 0.769E+00
RMM: 19 -0.395116930583E+03 -0.15078E+01 -0.33689E-01 10329 0.687E-01 0.653E+00
RMM: 20 -0.396796247978E+03 -0.16793E+01 -0.29485E-01 10761 0.579E-01 0.581E+00
RMM: 21 -0.399817010002E+03 -0.30208E+01 -0.68659E-01 11836 0.822E-01 0.505E+00
RMM: 22 -0.403781435237E+03 -0.39644E+01 -0.12009E+00 12760 0.107E+00 0.477E+00
RMM: 23 -0.407819858550E+03 -0.40384E+01 -0.14043E+00 13057 0.112E+00 0.546E+00
RMM: 24 -0.410539164703E+03 -0.27193E+01 -0.94413E-01 12654 0.889E-01 0.583E+00
RMM: 25 -0.411346251223E+03 -0.80709E+00 -0.15164E-01 11016 0.379E-01 0.760E+00
RMM: 26 -0.410709555143E+03 0.63670E+00 -0.22422E-02 10348 0.203E-01 0.925E+00
RMM: 27 -0.409974667606E+03 0.73489E+00 -0.86975E-03 10823 0.118E-01 0.936E+00
RMM: 28 -0.409627198095E+03 0.34747E+00 -0.11175E-02 10561 0.900E-02 0.788E+00
RMM: 29 -0.409462258509E+03 0.16494E+00 -0.35640E-02 12551 0.209E-01 0.536E+00
RMM: 30 -0.410611990431E+03 -0.11497E+01 -0.20174E-01 15378 0.419E-01 0.795E+00
RMM: 31 -0.410149726872E+03 0.46226E+00 -0.36933E-01 15822 0.500E-01 0.732E+00
RMM: 32 -0.409827175652E+03 0.32255E+00 -0.73747E-01 15416 0.547E-01 0.728E+00
RMM: 33 -0.408196589622E+03 0.16306E+01 -0.31993E+00 14132 0.828E-01 0.808E+00
RMM: 34 -0.408599936992E+03 -0.40335E+00 -0.16676E-01 14028 0.309E-01 0.926E+00
RMM: 35 -0.408639255499E+03 -0.39319E-01 -0.31970E-02 10936 0.103E-01 0.916E+00
RMM: 36 -0.409027572886E+03 -0.38832E+00 -0.25073E-01 11907 0.229E-01 0.905E+00
RMM: 37 -0.409676576161E+03 -0.64900E+00 -0.18772E-01 14316 0.261E-01 0.916E+00
RMM: 38 -0.410359736416E+03 -0.68316E+00 -0.30082E-01 13886 0.270E-01 0.898E+00
RMM: 39 -0.412622374997E+03 -0.22626E+01 -0.35098E+00 16760 0.843E-01 0.125E+01
RMM: 40 -0.413482802462E+03 -0.86043E+00 -0.11045E+00 17341 0.644E-01 0.125E+01
RMM: 41 -0.412173655899E+03 0.13091E+01 -0.16107E+00 17234 0.744E-01 0.127E+01
RMM: 42 -0.411484283029E+03 0.68937E+00 -0.10096E-01 12995 0.166E-01 0.129E+01
RMM: 43 -0.412290667414E+03 -0.80638E+00 -0.26402E-01 14118 0.276E-01 0.125E+01
RMM: 44 -0.413742322921E+03 -0.14517E+01 -0.12885E+00 17057 0.650E-01 0.123E+01
RMM: 45 -0.412625464926E+03 0.11169E+01 -0.11437E+01 17873 0.181E+00 0.130E+01
RMM: 46 -0.408679074683E+03 0.39464E+01 -0.53873E+00 17240 0.118E+00 0.183E+01
RMM: 47 -0.408078504940E+03 0.60057E+00 -0.23813E-01 14790 0.298E-01 0.214E+01
RMM: 48 -0.407796754648E+03 0.28175E+00 -0.17158E-01 13544 0.227E-01 0.220E+01
RMM: 49 -0.407794185050E+03 0.25696E-02 -0.35829E-02 11752 0.102E-01 0.223E+01
RMM: 50 -0.406323160025E+03 0.14710E+01 -0.61457E-01 15367 0.395E-01 0.229E+01
RMM: 51 -0.398733786876E+03 0.75894E+01 -0.22314E+00 17685 0.955E-01 0.271E+01
RMM: 52 -0.397983092424E+03 0.75069E+00 -0.52123E-02 13213 0.150E-01 0.281E+01
RMM: 53 -0.398744095093E+03 -0.76100E+00 -0.11769E-01 13464 0.218E-01 0.272E+01
RMM: 54 -0.397288676204E+03 0.14554E+01 -0.31438E-01 12985 0.328E-01 0.274E+01
RMM: 55 -0.397934799963E+03 -0.64612E+00 -0.21711E-01 14170 0.296E-01 0.277E+01
RMM: 56 -0.403627169701E+03 -0.56924E+01 -0.93362E-01 16523 0.607E-01 0.248E+01
RMM: 57 -0.400523885387E+03 0.31033E+01 -0.45439E-01 14914 0.381E-01 0.265E+01
RMM: 58 -0.401055639888E+03 -0.53175E+00 -0.10707E+00 17285 0.641E-01 0.261E+01
RMM: 59 -0.399212464012E+03 0.18432E+01 -0.23574E+00 17381 0.818E-01 0.264E+01
RMM: 60 -0.399936573715E+03 -0.72411E+00 -0.16924E-01 13563 0.258E-01 0.265E+01
RMM: 61 -0.408699833943E+03 -0.87633E+01 -0.56525E+00 17578 0.112E+00 0.194E+01
RMM: 62 -0.401897306073E+03 0.68025E+01 -0.56896E+00 17596 0.126E+00 0.218E+01
RMM: 63 -0.395629005596E+03 0.62683E+01 -0.48282E+00 17577 0.104E+00 0.232E+01
RMM: 64 -0.396546849271E+03 -0.91784E+00 -0.55373E-01 16527 0.414E-01 0.237E+01
RMM: 65 -0.396174321963E+03 0.37253E+00 -0.43576E-02 12548 0.136E-01 0.241E+01
RMM: 66 -0.413828127320E+03 -0.17654E+02 -0.24316E+01 17893 0.206E+00 0.137E+01
RMM: 67 -0.397670985492E+03 0.16157E+02 -0.25220E+01 17884 0.218E+00 0.189E+01
RMM: 68 -0.396472016913E+03 0.11990E+01 -0.54875E-01 17082 0.404E-01 0.254E+01
RMM: 69 -0.395752812447E+03 0.71920E+00 -0.92709E-01 17095 0.591E-01 0.270E+01
RMM: 70 -0.397076472926E+03 -0.13237E+01 -0.31324E-01 16404 0.367E-01 0.270E+01
RMM: 71 -0.406766444191E+03 -0.96900E+01 -0.33680E+01 17920 0.228E+00 0.126E+01
RMM: 72 -0.406749813404E+03 0.16631E-01 -0.12663E+00 16608 0.468E-01 0.129E+01
RMM: 73 -0.406669340321E+03 0.80473E-01 -0.98341E-03 12829 0.668E-02 0.128E+01
RMM: 74 -0.406837604313E+03 -0.16826E+00 -0.13666E-02 14429 0.968E-02 0.129E+01
RMM: 75 -0.406933553021E+03 -0.95949E-01 -0.22777E-01 17610 0.341E-01 0.122E+01
RMM: 76 -0.403206181188E+03 0.37274E+01 -0.25491E+00 17919 0.938E-01 0.118E+01
RMM: 77 -0.402686954555E+03 0.51923E+00 -0.19698E+00 17914 0.833E-01 0.139E+01
RMM: 78 -0.401620458393E+03 0.10665E+01 -0.77533E-01 17244 0.454E-01 0.150E+01
RMM: 79 -0.401649565620E+03 -0.29107E-01 -0.33034E-03 11981 0.491E-02 0.150E+01
RMM: 80 -0.403043650719E+03 -0.13941E+01 -0.16885E+00 16881 0.549E-01 0.127E+01
RMM: 81 -0.395125820355E+03 0.79178E+01 -0.24291E+01 17920 0.273E+00 0.295E+01
RMM: 82 -0.393039080339E+03 0.20867E+01 -0.69922E-01 17914 0.574E-01 0.320E+01
RMM: 83 -0.391877559092E+03 0.11615E+01 -0.18129E-01 17790 0.317E-01 0.330E+01
RMM: 84 -0.391258287917E+03 0.61927E+00 -0.20785E-01 17059 0.277E-01 0.336E+01
RMM: 85 -0.390941003423E+03 0.31728E+00 -0.12163E-02 12275 0.733E-02 0.339E+01
RMM: 86 -0.410394329747E+03 -0.19453E+02 -0.39325E+01 17918 0.374E+00 0.179E+01
RMM: 87 -0.408283943150E+03 0.21104E+01 -0.35064E+00 17920 0.132E+00 0.193E+01
RMM: 88 -0.406536242376E+03 0.17477E+01 -0.24228E+00 17918 0.114E+00 0.187E+01
RMM: 89 -0.407637081182E+03 -0.11008E+01 -0.20957E-01 17837 0.369E-01 0.176E+01
RMM: 90 -0.407343489726E+03 0.29359E+00 -0.31147E-01 17915 0.446E-01 0.171E+01
RMM: 91 -0.407993780384E+03 -0.65029E+00 -0.49427E-01 17904 0.498E-01 0.153E+01
RMM: 92 -0.407915760398E+03 0.78020E-01 -0.72867E-02 17761 0.248E-01 0.147E+01
RMM: 93 -0.408379981559E+03 -0.46422E+00 -0.76873E-02 17088 0.249E-01 0.146E+01
RMM: 94 -0.408557189252E+03 -0.17721E+00 -0.44117E-02 16372 0.182E-01 0.138E+01
RMM: 95 -0.408472084409E+03 0.85105E-01 -0.69018E-03 13454 0.124E-01 0.138E+01
RMM: 96 -0.408157632312E+03 0.31445E+00 -0.20405E-01 17884 0.377E-01 0.142E+01
RMM: 97 -0.408136988629E+03 0.20644E-01 -0.45031E-02 17756 0.243E-01 0.145E+01
RMM: 98 -0.408352891206E+03 -0.21590E+00 -0.31294E-02 16992 0.165E-01 0.156E+01
RMM: 99 -0.408577908961E+03 -0.22502E+00 -0.67606E-02 17430 0.218E-01 0.167E+01
RMM: 100 -0.409105395824E+03 -0.52749E+00 -0.80235E-02 16993 0.215E-01 0.170E+01
RMM: 101 -0.410669764025E+03 -0.15644E+01 -0.16662E+00 17920 0.114E+00 0.236E+01
RMM: 102 -0.412041960723E+03 -0.13722E+01 -0.21965E-01 17915 0.437E-01 0.220E+01
RMM: 103 -0.412628532293E+03 -0.58657E+00 -0.28939E-01 17899 0.404E-01 0.198E+01
RMM: 104 -0.412721846079E+03 -0.93314E-01 -0.54676E-02 15955 0.154E-01 0.198E+01
RMM: 105 -0.412814053922E+03 -0.92208E-01 -0.15869E-02 12372 0.731E-02 0.198E+01
RMM: 106 -0.413079641060E+03 -0.26559E+00 -0.71945E-02 16459 0.187E-01 0.200E+01
RMM: 107 -0.413006738873E+03 0.72902E-01 -0.17326E-02 16047 0.126E-01 0.200E+01
RMM: 108 -0.413047481138E+03 -0.40742E-01 -0.20111E-02 15996 0.124E-01 0.205E+01
RMM: 109 -0.412927950528E+03 0.11953E+00 -0.32920E-02 16284 0.143E-01 0.216E+01
RMM: 110 -0.412546625912E+03 0.38132E+00 -0.18859E-01 16517 0.279E-01 0.231E+01
RMM: 111 -0.412627179927E+03 -0.80554E-01 -0.13826E-01 17743 0.305E-01 0.224E+01
RMM: 112 -0.412429059778E+03 0.19812E+00 -0.16774E-01 17306 0.308E-01 0.233E+01
RMM: 113 -0.411730549393E+03 0.69851E+00 -0.28018E-01 17003 0.345E-01 0.245E+01
RMM: 114 -0.410760524708E+03 0.97002E+00 -0.33928E-01 17085 0.408E-01 0.249E+01
RMM: 115 -0.409901051906E+03 0.85947E+00 -0.24702E-01 16547 0.383E-01 0.249E+01
RMM: 116 -0.414211848700E+03 -0.43108E+01 -0.13316E+01 17920 0.182E+00 0.129E+01
RMM: 117 -0.413037570778E+03 0.11743E+01 -0.68815E-01 17920 0.598E-01 0.150E+01
RMM: 118 -0.413245264085E+03 -0.20769E+00 -0.22816E-01 17897 0.357E-01 0.164E+01
RMM: 119 -0.413311469120E+03 -0.66205E-01 -0.12694E-01 17890 0.299E-01 0.174E+01
RMM: 120 -0.413335938269E+03 -0.24469E-01 -0.60695E-02 17870 0.247E-01 0.173E+01
RMM: 121 -0.414015756829E+03 -0.67982E+00 -0.19880E+00 17920 0.872E-01 0.958E+00
RMM: 122 -0.413890361898E+03 0.12539E+00 -0.54583E-02 17748 0.243E-01 0.898E+00
RMM: 123 -0.413745475504E+03 0.14489E+00 -0.71680E-02 17102 0.178E-01 0.797E+00
RMM: 124 -0.413443263126E+03 0.30221E+00 -0.14548E-01 17864 0.279E-01 0.703E+00
RMM: 125 -0.413396815910E+03 0.46447E-01 -0.17583E-02 17147 0.154E-01 0.670E+00
RMM: 126 -0.413459624245E+03 -0.62808E-01 -0.14360E-01 17920 0.397E-01 0.546E+00
RMM: 127 -0.413314393889E+03 0.14523E+00 -0.67670E-02 17308 0.205E-01 0.510E+00
RMM: 128 -0.413549638046E+03 -0.23524E+00 -0.43588E-02 17300 0.181E-01 0.447E+00
RMM: 129 -0.414391691105E+03 -0.84205E+00 -0.72746E-02 17916 0.285E-01 0.304E+00
RMM: 130 -0.415342276925E+03 -0.95059E+00 -0.47284E-02 17898 0.249E-01 0.195E+00
RMM: 131 -0.416058360786E+03 -0.71608E+00 -0.49608E-02 17758 0.224E-01 0.118E+00
RMM: 132 -0.416383514135E+03 -0.32515E+00 -0.13488E-02 16698 0.135E-01 0.102E+00
RMM: 133 -0.416547857832E+03 -0.16434E+00 -0.16898E-02 16778 0.129E-01 0.996E-01
RMM: 134 -0.416691641311E+03 -0.14378E+00 -0.11913E-02 16240 0.107E-01 0.916E-01
RMM: 135 -0.416809250973E+03 -0.11761E+00 -0.12134E-02 16184 0.101E-01 0.887E-01
RMM: 136 -0.416944285286E+03 -0.13503E+00 -0.11974E-02 15967 0.105E-01 0.802E-01
RMM: 137 -0.417030183078E+03 -0.85898E-01 -0.69303E-03 15260 0.754E-02 0.735E-01
RMM: 138 -0.417095751842E+03 -0.65569E-01 -0.44232E-03 14402 0.578E-02 0.637E-01
RMM: 139 -0.417156979656E+03 -0.61228E-01 -0.33322E-03 13582 0.486E-02 0.545E-01
RMM: 140 -0.417211449335E+03 -0.54470E-01 -0.31064E-03 13590 0.451E-02 0.500E-01
RMM: 141 -0.417338912262E+03 -0.12746E+00 -0.27544E-02 16725 0.125E-01 0.345E-01
RMM: 142 -0.417352635979E+03 -0.13724E-01 -0.13511E-03 13162 0.435E-02 0.284E-01
RMM: 143 -0.417379278620E+03 -0.26643E-01 -0.94337E-04 12270 0.342E-02 0.215E-01
RMM: 144 -0.417418016928E+03 -0.38738E-01 -0.78174E-04 12043 0.283E-02 0.210E-01
RMM: 145 -0.417439855471E+03 -0.21839E-01 -0.39112E-04 11159 0.196E-02 0.164E-01
RMM: 146 -0.417453768519E+03 -0.13913E-01 -0.47751E-04 11126 0.196E-02 0.116E-01
RMM: 147 -0.417462915576E+03 -0.91471E-02 -0.20145E-04 10956 0.158E-02 0.954E-02
RMM: 148 -0.417465753445E+03 -0.28379E-02 -0.12121E-04 9929 0.108E-02 0.532E-02
RMM: 149 -0.417466674686E+03 -0.92124E-03 -0.61769E-05 8700 0.828E-03 0.290E-02
RMM: 150 -0.417467257481E+03 -0.58279E-03 -0.40406E-05 7691 0.601E-03 0.309E-02
RMM: 151 -0.417467635110E+03 -0.37763E-03 -0.19962E-05 7171 0.444E-03 0.245E-02
RMM: 152 -0.417467840130E+03 -0.20502E-03 -0.85971E-06 6603 0.292E-03 0.142E-02
RMM: 153 -0.417468201264E+03 -0.36113E-03 -0.12741E-05 6930 0.276E-03 0.110E-02
RMM: 154 -0.417468529787E+03 -0.32852E-03 -0.11597E-05 6319 0.235E-03 0.733E-03
RMM: 155 -0.417468715372E+03 -0.18558E-03 -0.82676E-06 5964 0.200E-03 0.623E-03
RMM: 156 -0.417468806748E+03 -0.91376E-04 -0.50373E-06 5344 0.164E-03 0.524E-03
RMM: 157 -0.417468826009E+03 -0.19261E-04 -0.28966E-06 4647 0.135E-03 0.432E-03
RMM: 158 -0.417468820074E+03 0.59342E-05 -0.39588E-06 5983 0.169E-03
1 F= -.45506907E+03 E0= -.45506934E+03 d E =0.790661E-03 mag= 0.0022