iterations/neb1_max2_image04_iter20_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422442875587E+04 0.42244E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.102730502202E+03 -0.43272E+04 -0.39243E+04 10992 0.248E+02
DAV: 3 -0.425936313468E+03 -0.32321E+03 -0.30227E+03 10216 0.657E+01
DAV: 4 -0.434568864346E+03 -0.86326E+01 -0.85215E+01 10880 0.108E+01
DAV: 5 -0.434858383458E+03 -0.28952E+00 -0.28876E+00 10928 0.193E+00 0.976E+01
RMM: 6 -0.387761190381E+03 0.47097E+02 -0.11010E+02 9693 0.145E+01 0.753E+01
RMM: 7 -0.793839451883E+03 -0.40608E+03 -0.40342E+02 11256 0.187E+01 0.151E+02
RMM: 8 -0.484193992255E+03 0.30965E+03 -0.97963E+01 9963 0.106E+01 0.861E+01
RMM: 9 -0.424953172887E+03 0.59241E+02 -0.72350E+01 10268 0.110E+01 0.618E+01
RMM: 10 -0.365530876612E+03 0.59422E+02 -0.30457E+01 10222 0.717E+00 0.223E+01
RMM: 11 -0.370137498329E+03 -0.46066E+01 -0.13637E+01 10155 0.457E+00 0.217E+01
RMM: 12 -0.370155323352E+03 -0.17825E-01 -0.38016E+00 10284 0.246E+00 0.158E+01
RMM: 13 -0.374194651562E+03 -0.40393E+01 -0.22737E+00 10174 0.207E+00 0.138E+01
RMM: 14 -0.377974074839E+03 -0.37794E+01 -0.17817E+00 10192 0.173E+00 0.122E+01
RMM: 15 -0.381717613217E+03 -0.37435E+01 -0.13248E+00 10343 0.144E+00 0.102E+01
RMM: 16 -0.386675994477E+03 -0.49584E+01 -0.16894E+00 11025 0.150E+00 0.903E+00
RMM: 17 -0.389879820958E+03 -0.32038E+01 -0.67138E-01 10392 0.104E+00 0.632E+00
RMM: 18 -0.393549436883E+03 -0.36696E+01 -0.64890E-01 10840 0.904E-01 0.636E+00
RMM: 19 -0.396490740955E+03 -0.29413E+01 -0.75400E-01 11428 0.932E-01 0.651E+00
RMM: 20 -0.400405138214E+03 -0.39144E+01 -0.14328E+00 12238 0.117E+00 0.542E+00
RMM: 21 -0.403606359206E+03 -0.32012E+01 -0.78996E-01 11735 0.864E-01 0.457E+00
RMM: 22 -0.408727332537E+03 -0.51210E+01 -0.20142E+00 13010 0.125E+00 0.481E+00
RMM: 23 -0.410832757656E+03 -0.21054E+01 -0.78629E-01 12077 0.798E-01 0.508E+00
RMM: 24 -0.411212683780E+03 -0.37993E+00 -0.12720E-01 10813 0.344E-01 0.484E+00
RMM: 25 -0.411178650887E+03 0.34033E-01 -0.13451E-02 10929 0.112E-01 0.484E+00
RMM: 26 -0.411108330670E+03 0.70320E-01 -0.24931E-03 10414 0.553E-02 0.478E+00
RMM: 27 -0.410677507805E+03 0.43082E+00 -0.20278E-01 16516 0.538E-01 0.421E+00
RMM: 28 -0.410221550703E+03 0.45596E+00 -0.24789E-01 17072 0.598E-01 0.551E+00
RMM: 29 -0.408455945685E+03 0.17656E+01 -0.25433E-01 16794 0.589E-01 0.684E+00
RMM: 30 -0.409307745625E+03 -0.85180E+00 -0.55315E-02 13326 0.246E-01 0.624E+00
RMM: 31 -0.411425149561E+03 -0.21174E+01 -0.10291E+00 17506 0.935E-01 0.450E+00
RMM: 32 -0.412680585650E+03 -0.12554E+01 -0.26851E-01 16548 0.496E-01 0.484E+00
RMM: 33 -0.413331685658E+03 -0.65110E+00 -0.12798E-01 15735 0.408E-01 0.523E+00
RMM: 34 -0.413977448977E+03 -0.64576E+00 -0.53316E-02 14493 0.280E-01 0.469E+00
RMM: 35 -0.414202670655E+03 -0.22522E+00 -0.42661E-03 10659 0.840E-02 0.437E+00
RMM: 36 -0.414240215223E+03 -0.37545E-01 -0.16232E-03 10396 0.492E-02 0.426E+00
RMM: 37 -0.414465877103E+03 -0.22566E+00 -0.11808E-02 13588 0.153E-01 0.370E+00
RMM: 38 -0.414567608390E+03 -0.10173E+00 -0.44899E-02 15695 0.272E-01 0.213E+00
RMM: 39 -0.414495618177E+03 0.71990E-01 -0.14949E-02 14206 0.146E-01 0.173E+00
RMM: 40 -0.414664449095E+03 -0.16883E+00 -0.57501E-03 12536 0.893E-02 0.152E+00
RMM: 41 -0.414977244462E+03 -0.31280E+00 -0.11685E-02 13318 0.122E-01 0.118E+00
RMM: 42 -0.415149277984E+03 -0.17203E+00 -0.83131E-03 12751 0.966E-02 0.904E-01
RMM: 43 -0.415238659088E+03 -0.89381E-01 -0.65624E-03 12212 0.890E-02 0.632E-01
RMM: 44 -0.415443517910E+03 -0.20486E+00 -0.20992E-02 13795 0.131E-01 0.452E-01
RMM: 45 -0.415531499941E+03 -0.87982E-01 -0.11075E-02 12778 0.978E-02 0.480E-01
RMM: 46 -0.415568025769E+03 -0.36526E-01 -0.60721E-03 11889 0.752E-02 0.563E-01
RMM: 47 -0.415597732991E+03 -0.29707E-01 -0.32226E-03 11367 0.554E-02 0.571E-01
RMM: 48 -0.415657097634E+03 -0.59365E-01 -0.24643E-03 11410 0.445E-02 0.505E-01
RMM: 49 -0.415699259360E+03 -0.42162E-01 -0.94943E-04 10928 0.292E-02 0.425E-01
RMM: 50 -0.415751391544E+03 -0.52132E-01 -0.85025E-04 11214 0.280E-02 0.308E-01
RMM: 51 -0.415787778710E+03 -0.36387E-01 -0.69145E-04 11093 0.291E-02 0.201E-01
RMM: 52 -0.415819032160E+03 -0.31253E-01 -0.30076E-04 10702 0.168E-02 0.158E-01
RMM: 53 -0.415838723724E+03 -0.19692E-01 -0.23980E-04 10861 0.149E-02 0.103E-01
RMM: 54 -0.415845838484E+03 -0.71148E-02 -0.12762E-04 9609 0.106E-02 0.710E-02
RMM: 55 -0.415847977159E+03 -0.21387E-02 -0.50327E-05 8514 0.752E-03 0.742E-02
RMM: 56 -0.415846544284E+03 0.14329E-02 -0.55145E-05 9697 0.922E-03 0.371E-02
RMM: 57 -0.415849051991E+03 -0.25077E-02 -0.46018E-05 7893 0.597E-03 0.313E-02
RMM: 58 -0.415849651508E+03 -0.59952E-03 -0.10919E-05 6690 0.315E-03 0.273E-02
RMM: 59 -0.415849908966E+03 -0.25746E-03 -0.65329E-06 6549 0.259E-03 0.213E-02
RMM: 60 -0.415850051490E+03 -0.14252E-03 -0.37601E-06 6389 0.208E-03 0.158E-02
RMM: 61 -0.415850238116E+03 -0.18663E-03 -0.25994E-06 6084 0.160E-03 0.116E-02
RMM: 62 -0.415850462584E+03 -0.22447E-03 -0.48509E-06 6552 0.203E-03 0.223E-02
RMM: 63 -0.415850487591E+03 -0.25007E-04 -0.52241E-07 3445 0.961E-04 0.221E-02
RMM: 64 -0.415850503992E+03 -0.16401E-04 -0.73745E-08 2571 0.816E-04 0.162E-02
RMM: 65 -0.415850727337E+03 -0.22335E-03 -0.50905E-06 6401 0.212E-03 0.214E-02
RMM: 66 -0.415850869340E+03 -0.14200E-03 -0.24283E-06 5868 0.155E-03 0.238E-02
RMM: 67 -0.415850971826E+03 -0.10249E-03 -0.22851E-07 2881 0.805E-04 0.198E-02
RMM: 68 -0.415851067072E+03 -0.95246E-04 -0.18261E-07 2843 0.877E-04 0.130E-02
RMM: 69 -0.415851160770E+03 -0.93698E-04 -0.57603E-07 3700 0.105E-03 0.873E-03
RMM: 70 -0.415851233752E+03 -0.72981E-04 -0.53523E-07 3836 0.102E-03 0.509E-03
RMM: 71 -0.415851278869E+03 -0.45118E-04 -0.26948E-07 2967 0.885E-04 0.197E-03
RMM: 72 -0.415851333232E+03 -0.54363E-04 -0.26347E-07 3047 0.898E-04 0.122E-03
RMM: 73 -0.415851378038E+03 -0.44806E-04 -0.56863E-07 3446 0.968E-04 0.171E-03
RMM: 74 -0.415851397340E+03 -0.19302E-04 -0.18690E-07 2734 0.812E-04 0.841E-04
RMM: 75 -0.415851412094E+03 -0.14754E-04 -0.19280E-07 2728 0.825E-04 0.814E-04
RMM: 76 -0.415851416733E+03 -0.46385E-05 -0.88879E-08 2443 0.785E-04
1 F= -.45356054E+03 E0= -.45355996E+03 d E =-.172547E-02 mag= -0.0005