iterations/neb0_image02_iter3_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.426514491425E+04 0.42651E+04 -0.25415E+05 9016 0.103E+03
DAV: 2 -0.920822299505E+02 -0.43572E+04 -0.39584E+04 11024 0.249E+02
DAV: 3 -0.419408847001E+03 -0.32733E+03 -0.30550E+03 10248 0.659E+01
DAV: 4 -0.427986855848E+03 -0.85780E+01 -0.84808E+01 10744 0.107E+01
DAV: 5 -0.428287018340E+03 -0.30016E+00 -0.29942E+00 11192 0.192E+00 0.113E+02
RMM: 6 -0.382398732724E+03 0.45888E+02 -0.10694E+02 9694 0.143E+01 0.802E+01
RMM: 7 -0.110082377503E+04 -0.71843E+03 -0.79608E+02 12785 0.255E+01 0.176E+02
RMM: 8 -0.527589989694E+03 0.57323E+03 -0.13924E+02 9947 0.127E+01 0.103E+02
RMM: 9 -0.466927233951E+03 0.60663E+02 -0.88098E+01 10148 0.118E+01 0.817E+01
RMM: 10 -0.373083341451E+03 0.93844E+02 -0.57198E+01 10343 0.973E+00 0.379E+01
RMM: 11 -0.362470085335E+03 0.10613E+02 -0.20879E+01 10282 0.528E+00 0.291E+01
RMM: 12 -0.364296828688E+03 -0.18267E+01 -0.71365E+00 10305 0.317E+00 0.308E+01
RMM: 13 -0.363877370065E+03 0.41946E+00 -0.39371E+00 10228 0.270E+00 0.184E+01
RMM: 14 -0.364938834449E+03 -0.10615E+01 -0.15850E+00 10246 0.160E+00 0.145E+01
RMM: 15 -0.367964936560E+03 -0.30261E+01 -0.12522E+00 10425 0.146E+00 0.132E+01
RMM: 16 -0.375800566657E+03 -0.78356E+01 -0.25145E+00 11449 0.195E+00 0.170E+01
RMM: 17 -0.377843290135E+03 -0.20427E+01 -0.10552E+00 10615 0.131E+00 0.173E+01
RMM: 18 -0.379549699718E+03 -0.17064E+01 -0.78530E-01 10671 0.106E+00 0.142E+01
RMM: 19 -0.381543602837E+03 -0.19939E+01 -0.82244E-01 11130 0.104E+00 0.103E+01
RMM: 20 -0.383627576687E+03 -0.20840E+01 -0.21420E+00 12271 0.151E+00 0.855E+00
RMM: 21 -0.384707482570E+03 -0.10799E+01 -0.39335E-01 10853 0.813E-01 0.735E+00
RMM: 22 -0.386159462294E+03 -0.14520E+01 -0.71829E-01 11644 0.931E-01 0.640E+00
RMM: 23 -0.388627098048E+03 -0.24676E+01 -0.16353E+00 12993 0.128E+00 0.111E+01
RMM: 24 -0.389730129016E+03 -0.11030E+01 -0.15201E-01 10632 0.453E-01 0.102E+01
RMM: 25 -0.391478287070E+03 -0.17482E+01 -0.24705E-01 11429 0.507E-01 0.933E+00
RMM: 26 -0.393752401127E+03 -0.22741E+01 -0.48218E-01 12554 0.681E-01 0.831E+00
RMM: 27 -0.396015958579E+03 -0.22636E+01 -0.58919E-01 12912 0.720E-01 0.546E+00
RMM: 28 -0.398188747420E+03 -0.21728E+01 -0.41474E-01 12325 0.594E-01 0.525E+00
RMM: 29 -0.399244694978E+03 -0.10559E+01 -0.12475E-01 11204 0.343E-01 0.726E+00
RMM: 30 -0.398747704255E+03 0.49699E+00 -0.50073E-02 10466 0.256E-01 0.769E+00
RMM: 31 -0.398396587476E+03 0.35112E+00 -0.18487E-02 10389 0.152E-01 0.788E+00
RMM: 32 -0.398053531716E+03 0.34306E+00 -0.88953E-02 12707 0.322E-01 0.845E+00
RMM: 33 -0.397527990195E+03 0.52554E+00 -0.23269E-01 14577 0.555E-01 0.903E+00
RMM: 34 -0.397248752588E+03 0.27924E+00 -0.65825E-02 12368 0.303E-01 0.953E+00
RMM: 35 -0.398574893520E+03 -0.13261E+01 -0.57470E-01 15382 0.801E-01 0.852E+00
RMM: 36 -0.400705458966E+03 -0.21306E+01 -0.12113E+00 16337 0.994E-01 0.724E+00
RMM: 37 -0.402526635813E+03 -0.18212E+01 -0.36255E+00 15057 0.964E-01 0.587E+00
RMM: 38 -0.403469201975E+03 -0.94257E+00 -0.82669E-01 13923 0.586E-01 0.480E+00
RMM: 39 -0.403540322876E+03 -0.71121E-01 -0.69134E-02 11865 0.180E-01 0.467E+00
RMM: 40 -0.403529536566E+03 0.10786E-01 -0.58633E-02 12378 0.193E-01 0.496E+00
RMM: 41 -0.403513149048E+03 0.16388E-01 -0.81176E-03 10854 0.898E-02 0.500E+00
RMM: 42 -0.403564121938E+03 -0.50973E-01 -0.53049E-02 12948 0.171E-01 0.484E+00
RMM: 43 -0.403687661398E+03 -0.12354E+00 -0.14378E-01 14938 0.268E-01 0.453E+00
RMM: 44 -0.403726219465E+03 -0.38558E-01 -0.66811E-02 14129 0.175E-01 0.429E+00
RMM: 45 -0.403832724446E+03 -0.10650E+00 -0.77112E-02 14739 0.212E-01 0.375E+00
RMM: 46 -0.404243889835E+03 -0.41117E+00 -0.17892E-01 16571 0.392E-01 0.482E+00
RMM: 47 -0.404138272018E+03 0.10562E+00 -0.67719E-03 11859 0.104E-01 0.464E+00
RMM: 48 -0.404188387814E+03 -0.50116E-01 -0.22083E-02 13354 0.138E-01 0.416E+00
RMM: 49 -0.404624207385E+03 -0.43582E+00 -0.16621E-01 16836 0.405E-01 0.390E+00
RMM: 50 -0.404792794750E+03 -0.16859E+00 -0.16367E-02 13766 0.139E-01 0.353E+00
RMM: 51 -0.404865493855E+03 -0.72699E-01 -0.65485E-02 15974 0.255E-01 0.320E+00
RMM: 52 -0.405251395247E+03 -0.38590E+00 -0.88105E-02 15117 0.251E-01 0.287E+00
RMM: 53 -0.405428837996E+03 -0.17744E+00 -0.16569E-02 13002 0.132E-01 0.230E+00
RMM: 54 -0.405630896840E+03 -0.20206E+00 -0.53204E-02 14021 0.189E-01 0.206E+00
RMM: 55 -0.405750542587E+03 -0.11965E+00 -0.50483E-02 14171 0.180E-01 0.138E+00
RMM: 56 -0.405791799025E+03 -0.41256E-01 -0.24050E-02 14231 0.165E-01 0.132E+00
RMM: 57 -0.405963997578E+03 -0.17220E+00 -0.25256E-02 14250 0.162E-01 0.821E-01
RMM: 58 -0.406071984726E+03 -0.10799E+00 -0.61331E-03 12086 0.841E-02 0.703E-01
RMM: 59 -0.406204009725E+03 -0.13202E+00 -0.64488E-03 12164 0.791E-02 0.654E-01
RMM: 60 -0.406349800688E+03 -0.14579E+00 -0.12541E-02 12930 0.110E-01 0.815E-01
RMM: 61 -0.406386597953E+03 -0.36797E-01 -0.50957E-03 11499 0.715E-02 0.153E+00
RMM: 62 -0.406400850396E+03 -0.14252E-01 -0.19798E-03 11093 0.510E-02 0.264E+00
RMM: 63 -0.406342761310E+03 0.58089E-01 -0.41222E-04 10198 0.304E-02 0.246E+00
RMM: 64 -0.406352948522E+03 -0.10187E-01 -0.40647E-03 12934 0.595E-02 0.251E+00
RMM: 65 -0.406350351187E+03 0.25973E-02 -0.55209E-03 13321 0.655E-02 0.230E+00
RMM: 66 -0.406347453141E+03 0.28980E-02 -0.66175E-04 10937 0.360E-02 0.164E+00
RMM: 67 -0.406391792488E+03 -0.44339E-01 -0.10998E-03 11941 0.354E-02 0.151E+00
RMM: 68 -0.406411637359E+03 -0.19845E-01 -0.43369E-03 13371 0.572E-02 0.134E+00
RMM: 69 -0.406427331681E+03 -0.15694E-01 -0.15021E-03 12235 0.379E-02 0.703E-01
RMM: 70 -0.406462938461E+03 -0.35607E-01 -0.35132E-04 11029 0.222E-02 0.525E-01
RMM: 71 -0.406469148959E+03 -0.62105E-02 -0.94765E-03 15481 0.862E-02 0.646E-01
RMM: 72 -0.406529544084E+03 -0.60395E-01 -0.10374E-02 15289 0.961E-02 0.260E-01
RMM: 73 -0.406570829904E+03 -0.41286E-01 -0.21513E-03 13588 0.439E-02 0.259E-01
RMM: 74 -0.406616578015E+03 -0.45748E-01 -0.19380E-03 13213 0.434E-02 0.233E-01
RMM: 75 -0.406651316596E+03 -0.34739E-01 -0.41794E-04 11697 0.219E-02 0.252E-01
RMM: 76 -0.406692813975E+03 -0.41497E-01 -0.57856E-04 11955 0.249E-02 0.214E-01
RMM: 77 -0.406711327491E+03 -0.18514E-01 -0.18167E-04 10634 0.143E-02 0.247E-01
RMM: 78 -0.406735901619E+03 -0.24574E-01 -0.38008E-04 11651 0.171E-02 0.221E-01
RMM: 79 -0.406751457401E+03 -0.15556E-01 -0.32607E-04 11306 0.153E-02 0.213E-01
RMM: 80 -0.406762228726E+03 -0.10771E-01 -0.34328E-04 11087 0.155E-02 0.191E-01
RMM: 81 -0.406762697457E+03 -0.46873E-03 -0.70591E-05 9069 0.986E-03 0.142E-01
RMM: 82 -0.406764280885E+03 -0.15834E-02 -0.23145E-05 7326 0.607E-03 0.135E-01
RMM: 83 -0.406766823422E+03 -0.25425E-02 -0.37943E-05 7818 0.553E-03 0.129E-01
RMM: 84 -0.406768210333E+03 -0.13869E-02 -0.27041E-05 7243 0.493E-03 0.133E-01
RMM: 85 -0.406769767287E+03 -0.15570E-02 -0.25435E-05 7236 0.477E-03 0.126E-01
RMM: 86 -0.406770541635E+03 -0.77435E-03 -0.10453E-05 6751 0.351E-03 0.133E-01
RMM: 87 -0.406771230647E+03 -0.68901E-03 -0.81214E-06 6533 0.291E-03 0.121E-01
RMM: 88 -0.406772090602E+03 -0.85995E-03 -0.17719E-05 7092 0.371E-03 0.103E-01
RMM: 89 -0.406772933161E+03 -0.84256E-03 -0.31794E-05 7514 0.454E-03 0.775E-02
RMM: 90 -0.406773515515E+03 -0.58235E-03 -0.18839E-05 6817 0.357E-03 0.720E-02
RMM: 91 -0.406773747004E+03 -0.23149E-03 -0.18356E-05 6727 0.351E-03 0.608E-02
RMM: 92 -0.406774006784E+03 -0.25978E-03 -0.15551E-05 6715 0.328E-03 0.456E-02
RMM: 93 -0.406774076200E+03 -0.69416E-04 -0.67915E-06 5819 0.240E-03 0.346E-02
RMM: 94 -0.406774035042E+03 0.41157E-04 -0.43405E-06 5388 0.192E-03 0.264E-02
RMM: 95 -0.406774049540E+03 -0.14498E-04 -0.29792E-06 4865 0.163E-03 0.229E-02
RMM: 96 -0.406774039251E+03 0.10289E-04 -0.26118E-06 4585 0.160E-03 0.139E-02
RMM: 97 -0.406774185625E+03 -0.14637E-03 -0.15069E-06 4057 0.128E-03 0.101E-02
RMM: 98 -0.406774278774E+03 -0.93149E-04 -0.10783E-06 3775 0.113E-03 0.900E-03
RMM: 99 -0.406774310119E+03 -0.31345E-04 -0.96615E-07 4069 0.112E-03 0.625E-03
RMM: 100 -0.406774355990E+03 -0.45872E-04 -0.60631E-07 3563 0.970E-04 0.463E-03
RMM: 101 -0.406774391514E+03 -0.35523E-04 -0.62773E-07 3545 0.950E-04 0.339E-03
RMM: 102 -0.406774406938E+03 -0.15424E-04 -0.26717E-07 2905 0.835E-04 0.255E-03
RMM: 103 -0.406774427003E+03 -0.20065E-04 -0.14472E-07 2656 0.805E-04 0.182E-03
RMM: 104 -0.406774440682E+03 -0.13679E-04 -0.56855E-08 2329 0.771E-04 0.171E-03
RMM: 105 -0.406774445321E+03 -0.46385E-05 -0.47523E-08 2240 0.773E-04
1 F= -.44459338E+03 E0= -.44459269E+03 d E =-.209012E-02 mag= 0.0002