iterations/neb0_image03_iter7_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422840327410E+04 0.42284E+04 -0.25379E+05 8992 0.103E+03
DAV: 2 -0.978090283189E+02 -0.43262E+04 -0.39203E+04 11000 0.248E+02
DAV: 3 -0.423223721037E+03 -0.32541E+03 -0.30303E+03 10224 0.657E+01
DAV: 4 -0.432025403721E+03 -0.88017E+01 -0.86875E+01 10792 0.109E+01
DAV: 5 -0.432306295097E+03 -0.28089E+00 -0.28024E+00 11080 0.190E+00 0.989E+01
RMM: 6 -0.434913459677E+03 -0.26072E+01 -0.10577E+02 9657 0.143E+01 0.955E+01
RMM: 7 -0.818751357592E+03 -0.38384E+03 -0.34590E+02 11158 0.168E+01 0.157E+02
RMM: 8 -0.465684276321E+03 0.35307E+03 -0.80742E+01 9971 0.100E+01 0.870E+01
RMM: 9 -0.519218682269E+03 -0.53534E+02 -0.82104E+01 10429 0.117E+01 0.989E+01
RMM: 10 -0.371669235245E+03 0.14755E+03 -0.42802E+01 10387 0.831E+00 0.395E+01
RMM: 11 -0.364319298447E+03 0.73499E+01 -0.16828E+01 10178 0.500E+00 0.286E+01
RMM: 12 -0.359171161319E+03 0.51481E+01 -0.86230E+00 10275 0.362E+00 0.163E+01
RMM: 13 -0.362826698950E+03 -0.36555E+01 -0.29121E+00 10554 0.200E+00 0.130E+01
RMM: 14 -0.366963066905E+03 -0.41364E+01 -0.18993E+00 10320 0.175E+00 0.150E+01
RMM: 15 -0.374425196839E+03 -0.74621E+01 -0.28028E+00 11034 0.207E+00 0.134E+01
RMM: 16 -0.378507579374E+03 -0.40824E+01 -0.14462E+00 10527 0.157E+00 0.177E+01
RMM: 17 -0.377353977422E+03 0.11536E+01 -0.36531E-01 10116 0.766E-01 0.899E+00
RMM: 18 -0.383822532631E+03 -0.64686E+01 -0.15327E+00 12182 0.152E+00 0.178E+01
RMM: 19 -0.384489279218E+03 -0.66675E+00 -0.85329E-01 11327 0.108E+00 0.105E+01
RMM: 20 -0.384733829907E+03 -0.24455E+00 -0.89993E-02 10264 0.382E-01 0.101E+01
RMM: 21 -0.384800261081E+03 -0.66431E-01 -0.36583E-02 10372 0.255E-01 0.997E+00
RMM: 22 -0.385459926393E+03 -0.65967E+00 -0.49438E-02 10863 0.257E-01 0.106E+01
RMM: 23 -0.386700802204E+03 -0.12409E+01 -0.16508E-01 12536 0.455E-01 0.108E+01
RMM: 24 -0.388528860281E+03 -0.18281E+01 -0.42787E-01 13603 0.678E-01 0.758E+00
RMM: 25 -0.394059337597E+03 -0.55305E+01 -0.17141E+00 15535 0.131E+00 0.997E+00
RMM: 26 -0.395506633221E+03 -0.14473E+01 -0.39698E-01 14227 0.666E-01 0.969E+00
RMM: 27 -0.398022017893E+03 -0.25154E+01 -0.72689E-01 14556 0.819E-01 0.657E+00
RMM: 28 -0.399743967072E+03 -0.17219E+01 -0.17125E-01 12790 0.446E-01 0.622E+00
RMM: 29 -0.400276314826E+03 -0.53235E+00 -0.37368E-02 11180 0.223E-01 0.610E+00
RMM: 30 -0.400973686565E+03 -0.69737E+00 -0.75680E-02 11966 0.286E-01 0.593E+00
RMM: 31 -0.402184704010E+03 -0.12110E+01 -0.27918E-01 13967 0.525E-01 0.671E+00
RMM: 32 -0.402171602093E+03 0.13102E-01 -0.37704E-02 11515 0.244E-01 0.637E+00
RMM: 33 -0.402634166901E+03 -0.46256E+00 -0.44565E-02 11976 0.211E-01 0.647E+00
RMM: 34 -0.403736193020E+03 -0.11020E+01 -0.17290E-01 14223 0.410E-01 0.692E+00
RMM: 35 -0.404627616966E+03 -0.89142E+00 -0.17945E-01 14277 0.420E-01 0.716E+00
RMM: 36 -0.404714285098E+03 -0.86668E-01 -0.28661E-02 11714 0.181E-01 0.710E+00
RMM: 37 -0.404575741056E+03 0.13854E+00 -0.15816E-02 10850 0.138E-01 0.723E+00
RMM: 38 -0.404216442291E+03 0.35930E+00 -0.41911E-01 16129 0.648E-01 0.829E+00
RMM: 39 -0.404303093283E+03 -0.86651E-01 -0.32972E-01 16590 0.626E-01 0.915E+00
RMM: 40 -0.404000640296E+03 0.30245E+00 -0.87171E-02 14519 0.323E-01 0.958E+00
RMM: 41 -0.405001906375E+03 -0.10013E+01 -0.13971E-01 14570 0.398E-01 0.876E+00
RMM: 42 -0.405980638373E+03 -0.97873E+00 -0.43174E-01 16232 0.634E-01 0.833E+00
RMM: 43 -0.405581341107E+03 0.39930E+00 -0.25631E-01 15296 0.483E-01 0.898E+00
RMM: 44 -0.405131164233E+03 0.45018E+00 -0.77083E-02 13139 0.255E-01 0.964E+00
RMM: 45 -0.405415776807E+03 -0.28461E+00 -0.21389E-02 11123 0.164E-01 0.916E+00
RMM: 46 -0.405694754649E+03 -0.27898E+00 -0.27044E-02 12054 0.170E-01 0.872E+00
RMM: 47 -0.406070947028E+03 -0.37619E+00 -0.44195E-02 13408 0.215E-01 0.837E+00
RMM: 48 -0.406579809238E+03 -0.50886E+00 -0.11826E-01 15218 0.352E-01 0.831E+00
RMM: 49 -0.406576614009E+03 0.31952E-02 -0.55966E-03 11146 0.846E-02 0.835E+00
RMM: 50 -0.406353715285E+03 0.22290E+00 -0.74081E-03 11332 0.109E-01 0.816E+00
RMM: 51 -0.403503992214E+03 0.28497E+01 -0.59638E-01 17631 0.863E-01 0.880E+00
RMM: 52 -0.403650835717E+03 -0.14684E+00 -0.24472E-01 17213 0.568E-01 0.106E+01
RMM: 53 -0.404005287107E+03 -0.35445E+00 -0.30653E-03 11429 0.769E-02 0.106E+01
RMM: 54 -0.404039599964E+03 -0.34313E-01 -0.10131E-03 11197 0.376E-02 0.106E+01
RMM: 55 -0.404724310497E+03 -0.68471E+00 -0.65003E-02 16927 0.306E-01 0.882E+00
RMM: 56 -0.405821316306E+03 -0.10970E+01 -0.85177E-01 17920 0.102E+00 0.751E+00
RMM: 57 -0.405772721275E+03 0.48595E-01 -0.27414E-01 17680 0.529E-01 0.699E+00
RMM: 58 -0.405946853222E+03 -0.17413E+00 -0.26048E-01 17806 0.568E-01 0.630E+00
RMM: 59 -0.406009092014E+03 -0.62239E-01 -0.11814E-01 17415 0.392E-01 0.533E+00
RMM: 60 -0.406002689334E+03 0.64027E-02 -0.10106E-02 13999 0.122E-01 0.536E+00
RMM: 61 -0.405718051302E+03 0.28464E+00 -0.12897E-01 17491 0.386E-01 0.576E+00
RMM: 62 -0.406838872510E+03 -0.11208E+01 -0.67259E-02 17140 0.314E-01 0.472E+00
RMM: 63 -0.407227802756E+03 -0.38893E+00 -0.22218E-02 15748 0.167E-01 0.447E+00
RMM: 64 -0.407299023274E+03 -0.71221E-01 -0.89143E-03 13625 0.976E-02 0.483E+00
RMM: 65 -0.407386915767E+03 -0.87892E-01 -0.14578E-02 13427 0.158E-01 0.420E+00
RMM: 66 -0.408479766303E+03 -0.10929E+01 -0.53172E-01 17642 0.683E-01 0.225E+00
RMM: 67 -0.408792172513E+03 -0.31241E+00 -0.31150E-02 15907 0.227E-01 0.170E+00
RMM: 68 -0.408896110259E+03 -0.10394E+00 -0.25224E-02 15404 0.166E-01 0.143E+00
RMM: 69 -0.409072798249E+03 -0.17669E+00 -0.38372E-02 16309 0.202E-01 0.146E+00
RMM: 70 -0.409201238127E+03 -0.12844E+00 -0.12207E-02 14531 0.114E-01 0.139E+00
RMM: 71 -0.409221402213E+03 -0.20164E-01 -0.21014E-02 14883 0.143E-01 0.168E+00
RMM: 72 -0.409257677911E+03 -0.36276E-01 -0.43276E-03 12721 0.854E-02 0.165E+00
RMM: 73 -0.409287228739E+03 -0.29551E-01 -0.43463E-03 12800 0.685E-02 0.165E+00
RMM: 74 -0.409499874637E+03 -0.21265E+00 -0.23183E-02 15368 0.158E-01 0.260E+00
RMM: 75 -0.409543802344E+03 -0.43928E-01 -0.13054E-02 13932 0.118E-01 0.385E+00
RMM: 76 -0.409404858614E+03 0.13894E+00 -0.51906E-03 12227 0.112E-01 0.306E+00
RMM: 77 -0.409500531877E+03 -0.95673E-01 -0.28384E-03 11948 0.617E-02 0.332E+00
RMM: 78 -0.409558938917E+03 -0.58407E-01 -0.10983E-02 14493 0.118E-01 0.357E+00
RMM: 79 -0.409622598123E+03 -0.63659E-01 -0.58610E-03 13566 0.772E-02 0.391E+00
RMM: 80 -0.409679245751E+03 -0.56648E-01 -0.35865E-03 12355 0.732E-02 0.407E+00
RMM: 81 -0.409692566355E+03 -0.13321E-01 -0.37208E-03 12397 0.693E-02 0.427E+00
RMM: 82 -0.409751289992E+03 -0.58724E-01 -0.38648E-03 12673 0.676E-02 0.465E+00
RMM: 83 -0.409766614076E+03 -0.15324E-01 -0.59602E-04 10619 0.304E-02 0.478E+00
RMM: 84 -0.409763996073E+03 0.26180E-02 -0.12103E-04 9573 0.129E-02 0.481E+00
RMM: 85 -0.409770204206E+03 -0.62081E-02 -0.11256E-04 9324 0.109E-02 0.487E+00
RMM: 86 -0.409519651617E+03 0.25055E+00 -0.29595E-02 17722 0.174E-01 0.375E+00
RMM: 87 -0.409601767704E+03 -0.82116E-01 -0.43031E-03 15651 0.755E-02 0.424E+00
RMM: 88 -0.409627051631E+03 -0.25284E-01 -0.14644E-02 16592 0.109E-01 0.432E+00
RMM: 89 -0.409610409640E+03 0.16642E-01 -0.83610E-03 15746 0.792E-02 0.434E+00
RMM: 90 -0.409599711613E+03 0.10698E-01 -0.36570E-04 10818 0.192E-02 0.436E+00
RMM: 91 -0.409575017398E+03 0.24694E-01 -0.21790E-04 10720 0.180E-02 0.431E+00
RMM: 92 -0.409575421196E+03 -0.40380E-03 -0.10848E-05 6343 0.448E-03 0.431E+00
RMM: 93 -0.409576192094E+03 -0.77090E-03 -0.43166E-04 11100 0.208E-02 0.429E+00
RMM: 94 -0.409613462057E+03 -0.37270E-01 -0.82152E-04 13123 0.298E-02 0.429E+00
RMM: 95 -0.409643746822E+03 -0.30285E-01 -0.16929E-03 13893 0.401E-02 0.427E+00
RMM: 96 -0.409661100936E+03 -0.17354E-01 -0.79491E-03 16833 0.959E-02 0.400E+00
RMM: 97 -0.409660081509E+03 0.10194E-02 -0.12867E-03 13614 0.364E-02 0.375E+00
RMM: 98 -0.409693680387E+03 -0.33599E-01 -0.83069E-03 16297 0.909E-02 0.291E+00
RMM: 99 -0.409729551715E+03 -0.35871E-01 -0.11175E-02 16076 0.971E-02 0.199E+00
RMM: 100 -0.409780053640E+03 -0.50502E-01 -0.76610E-03 15585 0.826E-02 0.199E+00
RMM: 101 -0.409793998174E+03 -0.13945E-01 -0.13791E-02 16724 0.106E-01 0.214E+00
RMM: 102 -0.409805202667E+03 -0.11204E-01 -0.26716E-03 14085 0.474E-02 0.210E+00
RMM: 103 -0.409854851040E+03 -0.49648E-01 -0.11439E-02 15791 0.114E-01 0.252E+00
RMM: 104 -0.409869217564E+03 -0.14367E-01 -0.30601E-03 14845 0.585E-02 0.294E+00
RMM: 105 -0.409857928103E+03 0.11289E-01 -0.21151E-04 10000 0.278E-02 0.297E+00
RMM: 106 -0.409814378054E+03 0.43550E-01 -0.23938E-02 16645 0.147E-01 0.275E+00
RMM: 107 -0.409855428489E+03 -0.41050E-01 -0.12641E-03 13151 0.608E-02 0.294E+00
RMM: 108 -0.409857630435E+03 -0.22019E-02 -0.17251E-04 9343 0.278E-02 0.299E+00
RMM: 109 -0.409856825384E+03 0.80505E-03 -0.27081E-05 6985 0.112E-02 0.299E+00
RMM: 110 -0.409896538623E+03 -0.39713E-01 -0.72774E-03 15880 0.894E-02 0.261E+00
RMM: 111 -0.409912137306E+03 -0.15599E-01 -0.14170E-02 16873 0.114E-01 0.264E+00
RMM: 112 -0.409909289222E+03 0.28481E-02 -0.14109E-03 13681 0.504E-02 0.268E+00
RMM: 113 -0.409906627485E+03 0.26617E-02 -0.11439E-04 8981 0.240E-02 0.273E+00
RMM: 114 -0.409908266940E+03 -0.16395E-02 -0.10944E-03 12408 0.298E-02 0.292E+00
RMM: 115 -0.409901043790E+03 0.72232E-02 -0.77138E-04 12233 0.270E-02 0.270E+00
RMM: 116 -0.409870939789E+03 0.30104E-01 -0.16756E-02 17104 0.120E-01 0.282E+00
RMM: 117 -0.409875036096E+03 -0.40963E-02 -0.27854E-03 14946 0.500E-02 0.299E+00
RMM: 118 -0.409877904905E+03 -0.28688E-02 -0.74699E-03 16123 0.748E-02 0.296E+00
RMM: 119 -0.409875524519E+03 0.23804E-02 -0.54064E-04 11632 0.239E-02 0.314E+00
RMM: 120 -0.409872044680E+03 0.34798E-02 -0.28248E-04 10430 0.192E-02 0.313E+00
RMM: 121 -0.409828122809E+03 0.43922E-01 -0.10727E-03 13005 0.356E-02 0.329E+00
RMM: 122 -0.409828590388E+03 -0.46758E-03 -0.10207E-03 13135 0.324E-02 0.296E+00
RMM: 123 -0.409833742952E+03 -0.51526E-02 -0.14575E-04 9137 0.142E-02 0.272E+00
RMM: 124 -0.409837710347E+03 -0.39674E-02 -0.24425E-04 9852 0.196E-02 0.264E+00
RMM: 125 -0.409844694433E+03 -0.69841E-02 -0.11949E-03 12507 0.335E-02 0.276E+00
RMM: 126 -0.409824492478E+03 0.20202E-01 -0.26665E-03 14453 0.462E-02 0.271E+00
RMM: 127 -0.409818886148E+03 0.56063E-02 -0.45418E-04 11511 0.184E-02 0.258E+00
RMM: 128 -0.409826906273E+03 -0.80201E-02 -0.50549E-04 10132 0.213E-02 0.242E+00
RMM: 129 -0.409852266032E+03 -0.25360E-01 -0.12079E-03 12995 0.323E-02 0.209E+00
RMM: 130 -0.409889975646E+03 -0.37710E-01 -0.68338E-04 12468 0.312E-02 0.219E+00
RMM: 131 -0.409944972386E+03 -0.54997E-01 -0.16559E-02 16603 0.120E-01 0.199E+00
RMM: 132 -0.410008958072E+03 -0.63986E-01 -0.40591E-03 15195 0.720E-02 0.240E+00
RMM: 133 -0.410057023662E+03 -0.48066E-01 -0.13980E-03 13442 0.428E-02 0.255E+00
RMM: 134 -0.410070715851E+03 -0.13692E-01 -0.38804E-03 14551 0.583E-02 0.232E+00
RMM: 135 -0.410110141916E+03 -0.39426E-01 -0.13741E-02 16281 0.996E-02 0.220E+00
RMM: 136 -0.410124036187E+03 -0.13894E-01 -0.51306E-03 14850 0.623E-02 0.212E+00
RMM: 137 -0.410131310951E+03 -0.72748E-02 -0.68559E-04 11698 0.324E-02 0.221E+00
RMM: 138 -0.410129438873E+03 0.18721E-02 -0.68703E-04 11125 0.334E-02 0.215E+00
RMM: 139 -0.410128964183E+03 0.47469E-03 -0.51520E-05 7452 0.752E-03 0.213E+00
RMM: 140 -0.410128962917E+03 0.12668E-05 -0.47649E-05 7395 0.665E-03
1 F= -.44796722E+03 E0= -.44796726E+03 d E =0.118347E-03 mag= -0.1684