iterations/neb1_max2_image02_iter17_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422202616660E+04 0.42220E+04 -0.25382E+05 8992 0.103E+03
DAV: 2 -0.103799387077E+03 -0.43258E+04 -0.39247E+04 11016 0.248E+02
DAV: 3 -0.426860570748E+03 -0.32306E+03 -0.30159E+03 10240 0.656E+01
DAV: 4 -0.435361536551E+03 -0.85010E+01 -0.84010E+01 10752 0.107E+01
DAV: 5 -0.435652256809E+03 -0.29072E+00 -0.28998E+00 11160 0.192E+00 0.979E+01
RMM: 6 -0.389727963238E+03 0.45924E+02 -0.11180E+02 9719 0.146E+01 0.736E+01
RMM: 7 -0.813630261725E+03 -0.42390E+03 -0.43869E+02 11328 0.191E+01 0.151E+02
RMM: 8 -0.489282104751E+03 0.32435E+03 -0.10549E+02 9953 0.109E+01 0.899E+01
RMM: 9 -0.423949200947E+03 0.65333E+02 -0.67522E+01 10206 0.106E+01 0.614E+01
RMM: 10 -0.370719229658E+03 0.53230E+02 -0.35946E+01 10262 0.774E+00 0.282E+01
RMM: 11 -0.384596270384E+03 -0.13877E+02 -0.16313E+01 10408 0.453E+00 0.400E+01
RMM: 12 -0.372831710634E+03 0.11765E+02 -0.45653E+00 9917 0.297E+00 0.226E+01
RMM: 13 -0.370841470290E+03 0.19902E+01 -0.14913E+00 10105 0.171E+00 0.157E+01
RMM: 14 -0.372933587806E+03 -0.20921E+01 -0.89592E-01 10173 0.124E+00 0.126E+01
RMM: 15 -0.381540604712E+03 -0.86070E+01 -0.24417E+00 11633 0.198E+00 0.141E+01
RMM: 16 -0.387764226153E+03 -0.62236E+01 -0.22464E+00 11434 0.181E+00 0.143E+01
RMM: 17 -0.389009364093E+03 -0.12451E+01 -0.11710E+00 10767 0.131E+00 0.928E+00
RMM: 18 -0.392566430252E+03 -0.35571E+01 -0.10541E+00 11006 0.120E+00 0.836E+00
RMM: 19 -0.394081230078E+03 -0.15148E+01 -0.33956E-01 10252 0.742E-01 0.757E+00
RMM: 20 -0.396200226846E+03 -0.21190E+01 -0.35977E-01 10821 0.678E-01 0.721E+00
RMM: 21 -0.397951042257E+03 -0.17508E+01 -0.36250E-01 11284 0.664E-01 0.715E+00
RMM: 22 -0.401289710666E+03 -0.33387E+01 -0.13038E+00 12744 0.112E+00 0.634E+00
RMM: 23 -0.405273054146E+03 -0.39833E+01 -0.14277E+00 12960 0.110E+00 0.532E+00
RMM: 24 -0.408237410368E+03 -0.29644E+01 -0.83964E-01 12382 0.852E-01 0.475E+00
RMM: 25 -0.410197236415E+03 -0.19598E+01 -0.44647E-01 11723 0.614E-01 0.481E+00
RMM: 26 -0.410818662176E+03 -0.62143E+00 -0.42526E-02 10478 0.212E-01 0.494E+00
RMM: 27 -0.410604005942E+03 0.21466E+00 -0.36104E-02 10357 0.214E-01 0.885E+00
RMM: 28 -0.410994872753E+03 -0.39087E+00 -0.10701E-01 11777 0.306E-01 0.949E+00
RMM: 29 -0.409433211541E+03 0.15617E+01 -0.17441E-01 12761 0.439E-01 0.476E+00
RMM: 30 -0.410480143573E+03 -0.10469E+01 -0.14775E-01 12737 0.425E-01 0.682E+00
RMM: 31 -0.410406333578E+03 0.73810E-01 -0.13640E-01 12511 0.376E-01 0.631E+00
RMM: 32 -0.410068328520E+03 0.33801E+00 -0.31679E-01 13675 0.513E-01 0.714E+00
RMM: 33 -0.410863057379E+03 -0.79473E+00 -0.36557E-02 10939 0.222E-01 0.747E+00
RMM: 34 -0.411924305036E+03 -0.10612E+01 -0.67623E-01 15763 0.893E-01 0.612E+00
RMM: 35 -0.412708209200E+03 -0.78390E+00 -0.57672E-01 16074 0.771E-01 0.609E+00
RMM: 36 -0.413586199027E+03 -0.87799E+00 -0.17133E-01 14165 0.434E-01 0.461E+00
RMM: 37 -0.413843630276E+03 -0.25743E+00 -0.22946E-02 10979 0.182E-01 0.389E+00
RMM: 38 -0.414182431219E+03 -0.33880E+00 -0.29098E-02 11345 0.201E-01 0.357E+00
RMM: 39 -0.414688156429E+03 -0.50573E+00 -0.78969E-02 13075 0.301E-01 0.328E+00
RMM: 40 -0.414799408710E+03 -0.11125E+00 -0.18973E-02 11104 0.176E-01 0.248E+00
RMM: 41 -0.415078367083E+03 -0.27896E+00 -0.14148E-02 10781 0.148E-01 0.201E+00
RMM: 42 -0.415270213524E+03 -0.19185E+00 -0.81784E-03 10506 0.109E-01 0.182E+00
RMM: 43 -0.415351962212E+03 -0.81749E-01 -0.55806E-03 10541 0.850E-02 0.157E+00
RMM: 44 -0.415434520037E+03 -0.82558E-01 -0.75599E-03 11259 0.926E-02 0.118E+00
RMM: 45 -0.415577137349E+03 -0.14262E+00 -0.84189E-03 11572 0.962E-02 0.855E-01
RMM: 46 -0.415725434971E+03 -0.14830E+00 -0.74268E-03 11517 0.895E-02 0.679E-01
RMM: 47 -0.415839651134E+03 -0.11422E+00 -0.17745E-02 12818 0.125E-01 0.625E-01
RMM: 48 -0.415989532079E+03 -0.14988E+00 -0.69703E-03 11433 0.806E-02 0.533E-01
RMM: 49 -0.416068900042E+03 -0.79368E-01 -0.41633E-03 11121 0.620E-02 0.472E-01
RMM: 50 -0.416117968535E+03 -0.49068E-01 -0.25367E-03 11046 0.470E-02 0.418E-01
RMM: 51 -0.416126120218E+03 -0.81517E-02 -0.56359E-03 12330 0.723E-02 0.320E-01
RMM: 52 -0.416173227829E+03 -0.47108E-01 -0.23013E-03 11285 0.447E-02 0.282E-01
RMM: 53 -0.416215871053E+03 -0.42643E-01 -0.18156E-03 11481 0.363E-02 0.228E-01
RMM: 54 -0.416261232030E+03 -0.45361E-01 -0.11439E-03 11263 0.288E-02 0.207E-01
RMM: 55 -0.416304618077E+03 -0.43386E-01 -0.70210E-04 11314 0.230E-02 0.182E-01
RMM: 56 -0.416329564693E+03 -0.24947E-01 -0.35525E-04 11063 0.175E-02 0.171E-01
RMM: 57 -0.416337127969E+03 -0.75633E-02 -0.10351E-04 9511 0.978E-03 0.167E-01
RMM: 58 -0.416342781293E+03 -0.56533E-02 -0.88511E-05 9289 0.849E-03 0.160E-01
RMM: 59 -0.416346503775E+03 -0.37225E-02 -0.10732E-04 9512 0.868E-03 0.160E-01
RMM: 60 -0.416348198539E+03 -0.16948E-02 -0.87382E-05 9223 0.801E-03 0.174E-01
RMM: 61 -0.416348845913E+03 -0.64737E-03 -0.64239E-05 8652 0.657E-03 0.214E-01
RMM: 62 -0.416348642089E+03 0.20382E-03 -0.18198E-05 6937 0.425E-03 0.237E-01
RMM: 63 -0.416348424728E+03 0.21736E-03 -0.60158E-06 5583 0.262E-03 0.248E-01
RMM: 64 -0.416348741163E+03 -0.31644E-03 -0.81147E-06 5830 0.259E-03 0.217E-01
RMM: 65 -0.416349444835E+03 -0.70367E-03 -0.37552E-05 7209 0.453E-03 0.167E-01
RMM: 66 -0.416350574688E+03 -0.11299E-02 -0.10391E-04 8771 0.754E-03 0.146E-01
RMM: 67 -0.416351194626E+03 -0.61994E-03 -0.27927E-05 7126 0.437E-03 0.151E-01
RMM: 68 -0.416351572058E+03 -0.37743E-03 -0.21178E-05 6467 0.355E-03 0.158E-01
RMM: 69 -0.416351544222E+03 0.27836E-04 -0.15587E-06 4600 0.144E-03 0.158E-01
RMM: 70 -0.416351149887E+03 0.39433E-03 -0.17147E-05 5905 0.294E-03 0.150E-01
RMM: 71 -0.416351108817E+03 0.41070E-04 -0.70716E-06 6576 0.281E-03 0.153E-01
RMM: 72 -0.416350601228E+03 0.50759E-03 -0.36324E-05 6940 0.431E-03 0.147E-01
RMM: 73 -0.416350207708E+03 0.39352E-03 -0.23754E-05 6633 0.366E-03 0.154E-01
RMM: 74 -0.416350974323E+03 -0.76661E-03 -0.62781E-05 7162 0.546E-03 0.149E-01
RMM: 75 -0.416351322375E+03 -0.34805E-03 -0.14940E-05 6272 0.303E-03 0.155E-01
RMM: 76 -0.416348039316E+03 0.32831E-02 -0.17895E-03 14158 0.284E-02 0.679E-01
RMM: 77 -0.416346878114E+03 0.11612E-02 -0.29277E-04 9608 0.191E-02 0.294E-01
RMM: 78 -0.416377001515E+03 -0.30123E-01 -0.11753E-03 13092 0.272E-02 0.429E+00
RMM: 79 -0.416339811705E+03 0.37190E-01 -0.23482E-02 17341 0.114E-01 0.480E-01
RMM: 80 -0.416352407697E+03 -0.12596E-01 -0.54041E-03 15653 0.685E-02 0.212E-01
RMM: 81 -0.416352344736E+03 0.62961E-04 -0.36894E-04 11624 0.200E-02 0.171E-01
RMM: 82 -0.416353880590E+03 -0.15359E-02 -0.19742E-04 9206 0.112E-02 0.200E-01
RMM: 83 -0.416353841438E+03 0.39152E-04 -0.30035E-06 6165 0.239E-03 0.200E-01
RMM: 84 -0.416353406178E+03 0.43526E-03 -0.13096E-05 5708 0.270E-03 0.191E-01
RMM: 85 -0.416353067496E+03 0.33868E-03 -0.13815E-05 6420 0.286E-03 0.184E-01
RMM: 86 -0.416352754904E+03 0.31259E-03 -0.12011E-05 6125 0.268E-03 0.178E-01
RMM: 87 -0.416352824065E+03 -0.69162E-04 -0.10871E-06 4080 0.126E-03 0.178E-01
RMM: 88 -0.416352231124E+03 0.59294E-03 -0.43923E-05 7402 0.472E-03 0.164E-01
RMM: 89 -0.416352258167E+03 -0.27042E-04 -0.17751E-06 5036 0.157E-03 0.164E-01
RMM: 90 -0.416352115777E+03 0.14239E-03 -0.35489E-06 5035 0.169E-03 0.161E-01
RMM: 91 -0.416352017701E+03 0.98076E-04 -0.18319E-06 4698 0.138E-03 0.159E-01
RMM: 92 -0.416351729221E+03 0.28848E-03 -0.10887E-05 6168 0.256E-03 0.154E-01
RMM: 93 -0.416351399886E+03 0.32933E-03 -0.16274E-05 6320 0.302E-03 0.150E-01
RMM: 94 -0.416351223597E+03 0.17629E-03 -0.65081E-06 5216 0.209E-03 0.149E-01
RMM: 95 -0.416350948029E+03 0.27557E-03 -0.11867E-05 6160 0.263E-03 0.152E-01
RMM: 96 -0.416350590031E+03 0.35800E-03 -0.16344E-05 6315 0.297E-03 0.163E-01
RMM: 97 -0.416350406217E+03 0.18381E-03 -0.49039E-06 5040 0.194E-03 0.171E-01
RMM: 98 -0.416350381229E+03 0.24987E-04 -0.64997E-07 3519 0.111E-03 0.171E-01
RMM: 99 -0.416350441124E+03 -0.59894E-04 -0.18687E-07 2519 0.878E-04 0.167E-01
RMM: 100 -0.416350760414E+03 -0.31929E-03 -0.96049E-06 5052 0.230E-03 0.155E-01
RMM: 101 -0.416350990361E+03 -0.22995E-03 -0.56134E-06 5079 0.196E-03 0.151E-01
RMM: 102 -0.416351206566E+03 -0.21620E-03 -0.63655E-06 5252 0.199E-03 0.150E-01
RMM: 103 -0.416351473833E+03 -0.26727E-03 -0.10029E-05 5863 0.240E-03 0.151E-01
RMM: 104 -0.416351662519E+03 -0.18869E-03 -0.59612E-06 5184 0.196E-03 0.154E-01
RMM: 105 -0.416351690639E+03 -0.28120E-04 -0.82786E-07 3289 0.107E-03 0.154E-01
RMM: 106 -0.416351503239E+03 0.18740E-03 -0.24236E-06 3329 0.123E-03 0.152E-01
RMM: 107 -0.416351314911E+03 0.18833E-03 -0.45868E-06 4595 0.171E-03 0.150E-01
RMM: 108 -0.416351191697E+03 0.12321E-03 -0.23041E-06 4060 0.138E-03 0.150E-01
RMM: 109 -0.416351172955E+03 0.18742E-04 -0.28009E-07 2591 0.874E-04 0.150E-01
RMM: 110 -0.416351000038E+03 0.17292E-03 -0.45756E-06 5174 0.177E-03 0.151E-01
RMM: 111 -0.416351288335E+03 -0.28830E-03 -0.70891E-06 4508 0.191E-03 0.149E-01
RMM: 112 -0.416351409908E+03 -0.12157E-03 -0.22000E-06 3904 0.136E-03 0.150E-01
RMM: 113 -0.416351371390E+03 0.38518E-04 -0.11827E-07 2003 0.700E-04 0.150E-01
RMM: 114 -0.416351421855E+03 -0.50465E-04 -0.19716E-07 2129 0.790E-04 0.150E-01
RMM: 115 -0.416351463420E+03 -0.41566E-04 -0.40587E-07 2635 0.926E-04 0.151E-01
RMM: 116 -0.416351286283E+03 0.17714E-03 -0.19599E-06 2746 0.105E-03 0.150E-01
RMM: 117 -0.416351369715E+03 -0.83432E-04 -0.44845E-07 2335 0.788E-04 0.150E-01
RMM: 118 -0.416351545188E+03 -0.17547E-03 -0.43238E-06 4765 0.170E-03 0.152E-01
RMM: 119 -0.416351599179E+03 -0.53991E-04 -0.79376E-07 3244 0.105E-03 0.153E-01
RMM: 120 -0.416351552800E+03 0.46379E-04 -0.71820E-08 1791 0.671E-04 0.152E-01
RMM: 121 -0.416352489540E+03 -0.93674E-03 -0.11001E-04 8743 0.729E-03 0.174E-01
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RMM: 169 -0.416346964626E+03 0.18410E-02 -0.11118E-04 8953 0.779E-03 0.101E-01
RMM: 170 -0.416443793560E+03 -0.96829E-01 -0.20107E-03 14639 0.297E-02 0.708E+00
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1 F= -.45405395E+03 E0= -.45405350E+03 d E =-.135438E-02 mag= 0.0008