iterations/neb3_max1_image01_iter15_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422479768417E+04 0.42248E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104002718728E+03 -0.43288E+04 -0.39303E+04 11000 0.248E+02
DAV: 3 -0.425950076280E+03 -0.32195E+03 -0.30140E+03 10312 0.656E+01
DAV: 4 -0.434409582355E+03 -0.84595E+01 -0.83537E+01 10872 0.107E+01
DAV: 5 -0.434697901957E+03 -0.28832E+00 -0.28751E+00 11256 0.192E+00 0.102E+02
RMM: 6 -0.380082410973E+03 0.54615E+02 -0.10854E+02 9700 0.142E+01 0.694E+01
RMM: 7 -0.672553492836E+03 -0.29247E+03 -0.30428E+02 10730 0.178E+01 0.129E+02
RMM: 8 -0.520723114485E+03 0.15183E+03 -0.11992E+02 10262 0.116E+01 0.927E+01
RMM: 9 -0.391542121952E+03 0.12918E+03 -0.61860E+01 10234 0.998E+00 0.431E+01
RMM: 10 -0.381265050415E+03 0.10277E+02 -0.32074E+01 10144 0.743E+00 0.302E+01
RMM: 11 -0.400851342227E+03 -0.19586E+02 -0.18351E+01 10299 0.536E+00 0.489E+01
RMM: 12 -0.377222790754E+03 0.23629E+02 -0.57491E+00 9713 0.338E+00 0.253E+01
RMM: 13 -0.374722900979E+03 0.24999E+01 -0.21473E+00 10059 0.191E+00 0.184E+01
RMM: 14 -0.376896603042E+03 -0.21737E+01 -0.15847E+00 10379 0.164E+00 0.122E+01
RMM: 15 -0.382370454777E+03 -0.54739E+01 -0.14895E+00 10540 0.158E+00 0.166E+01
RMM: 16 -0.384859032169E+03 -0.24886E+01 -0.99235E-01 10454 0.130E+00 0.176E+01
RMM: 17 -0.386324396629E+03 -0.14654E+01 -0.61179E-01 10254 0.994E-01 0.137E+01
RMM: 18 -0.389353147505E+03 -0.30288E+01 -0.10352E+00 11185 0.118E+00 0.878E+00
RMM: 19 -0.392772239531E+03 -0.34191E+01 -0.71925E-01 11009 0.102E+00 0.614E+00
RMM: 20 -0.396870056475E+03 -0.40978E+01 -0.10405E+00 11579 0.113E+00 0.596E+00
RMM: 21 -0.399442872190E+03 -0.25728E+01 -0.64373E-01 11289 0.874E-01 0.531E+00
RMM: 22 -0.403810829438E+03 -0.43680E+01 -0.14643E+00 12393 0.115E+00 0.516E+00
RMM: 23 -0.408221080910E+03 -0.44103E+01 -0.20214E+00 12922 0.124E+00 0.469E+00
RMM: 24 -0.411219667427E+03 -0.29986E+01 -0.17758E+00 12954 0.112E+00 0.571E+00
RMM: 25 -0.412491931442E+03 -0.12723E+01 -0.31005E-01 11263 0.518E-01 0.542E+00
RMM: 26 -0.412802871707E+03 -0.31094E+00 -0.31436E-02 10782 0.176E-01 0.533E+00
RMM: 27 -0.413252205535E+03 -0.44933E+00 -0.47664E-02 10886 0.206E-01 0.527E+00
RMM: 28 -0.413984341818E+03 -0.73214E+00 -0.43832E-01 14478 0.663E-01 0.416E+00
RMM: 29 -0.414300241237E+03 -0.31590E+00 -0.88094E-02 12167 0.360E-01 0.405E+00
RMM: 30 -0.414758467290E+03 -0.45823E+00 -0.57414E-02 11276 0.301E-01 0.311E+00
RMM: 31 -0.415505607755E+03 -0.74714E+00 -0.58139E-02 11299 0.308E-01 0.242E+00
RMM: 32 -0.415840012061E+03 -0.33440E+00 -0.59149E-02 11440 0.291E-01 0.246E+00
RMM: 33 -0.415916990487E+03 -0.76978E-01 -0.16842E-02 10337 0.165E-01 0.215E+00
RMM: 34 -0.416044593052E+03 -0.12760E+00 -0.98845E-03 10401 0.118E-01 0.171E+00
RMM: 35 -0.416163005676E+03 -0.11841E+00 -0.10804E-02 10876 0.119E-01 0.143E+00
RMM: 36 -0.416255272255E+03 -0.92267E-01 -0.48271E-03 10462 0.782E-02 0.122E+00
RMM: 37 -0.416322473021E+03 -0.67201E-01 -0.36399E-03 10606 0.643E-02 0.102E+00
RMM: 38 -0.416414090648E+03 -0.91618E-01 -0.51567E-03 11255 0.720E-02 0.870E-01
RMM: 39 -0.416488755241E+03 -0.74665E-01 -0.70932E-03 12075 0.826E-02 0.713E-01
RMM: 40 -0.416555003904E+03 -0.66249E-01 -0.53597E-03 11738 0.738E-02 0.611E-01
RMM: 41 -0.416635090362E+03 -0.80086E-01 -0.89456E-03 12427 0.888E-02 0.464E-01
RMM: 42 -0.416688217881E+03 -0.53128E-01 -0.77567E-03 12173 0.833E-02 0.444E-01
RMM: 43 -0.416741122542E+03 -0.52905E-01 -0.27016E-03 11138 0.508E-02 0.402E-01
RMM: 44 -0.416797656887E+03 -0.56534E-01 -0.25646E-03 11257 0.466E-02 0.306E-01
RMM: 45 -0.416880913068E+03 -0.83256E-01 -0.54299E-03 12150 0.592E-02 0.246E-01
RMM: 46 -0.416943068927E+03 -0.62156E-01 -0.24698E-03 11610 0.409E-02 0.202E-01
RMM: 47 -0.416992776607E+03 -0.49708E-01 -0.19084E-03 11672 0.359E-02 0.165E-01
RMM: 48 -0.417018278043E+03 -0.25501E-01 -0.66139E-04 10989 0.226E-02 0.127E-01
RMM: 49 -0.417044456046E+03 -0.26178E-01 -0.57233E-04 11241 0.197E-02 0.988E-02
RMM: 50 -0.417060601988E+03 -0.16146E-01 -0.27129E-04 10709 0.145E-02 0.819E-02
RMM: 51 -0.417070541857E+03 -0.99399E-02 -0.16765E-04 10464 0.128E-02 0.659E-02
RMM: 52 -0.417075210344E+03 -0.46685E-02 -0.88885E-05 9157 0.855E-03 0.508E-02
RMM: 53 -0.417077612401E+03 -0.24021E-02 -0.66155E-05 8649 0.687E-03 0.334E-02
RMM: 54 -0.417078160623E+03 -0.54822E-03 -0.19723E-05 7281 0.425E-03 0.242E-02
RMM: 55 -0.417078335981E+03 -0.17536E-03 -0.80347E-06 6425 0.284E-03 0.189E-02
RMM: 56 -0.417078272496E+03 0.63485E-04 -0.75541E-06 6605 0.259E-03 0.963E-03
RMM: 57 -0.417078450108E+03 -0.17761E-03 -0.40172E-06 5741 0.183E-03 0.637E-03
RMM: 58 -0.417078597068E+03 -0.14696E-03 -0.29713E-06 5031 0.151E-03 0.463E-03
RMM: 59 -0.417078760416E+03 -0.16335E-03 -0.25555E-06 4603 0.134E-03 0.385E-03
RMM: 60 -0.417078913786E+03 -0.15337E-03 -0.17378E-06 3956 0.113E-03 0.308E-03
RMM: 61 -0.417079063977E+03 -0.15019E-03 -0.16669E-06 3994 0.111E-03 0.254E-03
RMM: 62 -0.417079164695E+03 -0.10072E-03 -0.11231E-06 3567 0.104E-03 0.239E-03
RMM: 63 -0.417079251637E+03 -0.86942E-04 -0.12833E-06 3917 0.108E-03 0.176E-03
RMM: 64 -0.417079335006E+03 -0.83369E-04 -0.74450E-07 3456 0.961E-04 0.143E-03
RMM: 65 -0.417079392162E+03 -0.57157E-04 -0.30400E-07 2909 0.898E-04 0.403E-03
RMM: 66 -0.417079387291E+03 0.48708E-05 -0.88222E-08 2499 0.828E-04
1 F= -.45475440E+03 E0= -.45475526E+03 d E =0.256968E-02 mag= 0.0012