iterations/neb3_max1_image05_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421826998391E+04 0.42183E+04 -0.25384E+05 9008 0.103E+03
DAV: 2 -0.105437121375E+03 -0.43237E+04 -0.39288E+04 11024 0.248E+02
DAV: 3 -0.426883627452E+03 -0.32145E+03 -0.30081E+03 10224 0.655E+01
DAV: 4 -0.435429566556E+03 -0.85459E+01 -0.84435E+01 10800 0.107E+01
DAV: 5 -0.435719190447E+03 -0.28962E+00 -0.28899E+00 11272 0.192E+00 0.100E+02
RMM: 6 -0.388240042020E+03 0.47479E+02 -0.10797E+02 9690 0.143E+01 0.725E+01
RMM: 7 -0.787409086156E+03 -0.39917E+03 -0.43387E+02 11316 0.191E+01 0.146E+02
RMM: 8 -0.496580338326E+03 0.29083E+03 -0.11492E+02 10053 0.113E+01 0.909E+01
RMM: 9 -0.408155616948E+03 0.88425E+02 -0.68570E+01 10171 0.107E+01 0.542E+01
RMM: 10 -0.393293139066E+03 0.14862E+02 -0.42390E+01 10319 0.847E+00 0.432E+01
RMM: 11 -0.388232906985E+03 0.50602E+01 -0.23113E+01 10274 0.579E+00 0.453E+01
RMM: 12 -0.374716014050E+03 0.13517E+02 -0.73137E+00 9956 0.365E+00 0.273E+01
RMM: 13 -0.375013075360E+03 -0.29706E+00 -0.31458E+00 10163 0.239E+00 0.228E+01
RMM: 14 -0.374489163977E+03 0.52391E+00 -0.13763E+00 10154 0.156E+00 0.148E+01
RMM: 15 -0.378568512127E+03 -0.40793E+01 -0.14126E+00 10480 0.154E+00 0.136E+01
RMM: 16 -0.384052572784E+03 -0.54841E+01 -0.14431E+00 10644 0.157E+00 0.147E+01
RMM: 17 -0.387579218420E+03 -0.35266E+01 -0.14905E+00 10831 0.150E+00 0.960E+00
RMM: 18 -0.390589770261E+03 -0.30106E+01 -0.60327E-01 10331 0.963E-01 0.671E+00
RMM: 19 -0.394253226301E+03 -0.36635E+01 -0.72118E-01 10931 0.994E-01 0.640E+00
RMM: 20 -0.397603745567E+03 -0.33505E+01 -0.10251E+00 11564 0.114E+00 0.693E+00
RMM: 21 -0.400283911699E+03 -0.26802E+01 -0.90596E-01 11661 0.101E+00 0.657E+00
RMM: 22 -0.403314454846E+03 -0.30305E+01 -0.97533E-01 11937 0.977E-01 0.562E+00
RMM: 23 -0.407768381594E+03 -0.44539E+01 -0.18872E+00 12812 0.123E+00 0.679E+00
RMM: 24 -0.409623383657E+03 -0.18550E+01 -0.70876E-01 11855 0.752E-01 0.717E+00
RMM: 25 -0.409567025787E+03 0.56358E-01 -0.46109E-02 10536 0.221E-01 0.673E+00
RMM: 26 -0.409620915247E+03 -0.53889E-01 -0.10939E-02 11187 0.899E-02 0.656E+00
RMM: 27 -0.409685743805E+03 -0.64829E-01 -0.20565E-03 11450 0.403E-02 0.644E+00
RMM: 28 -0.409922438307E+03 -0.23669E+00 -0.15112E-02 13031 0.122E-01 0.563E+00
RMM: 29 -0.410235333757E+03 -0.31290E+00 -0.12109E-02 12386 0.122E-01 0.640E+00
RMM: 30 -0.409894535907E+03 0.34080E+00 -0.32445E-02 14551 0.203E-01 0.730E+00
RMM: 31 -0.409134258546E+03 0.76028E+00 -0.15432E-01 16861 0.436E-01 0.839E+00
RMM: 32 -0.407919207075E+03 0.12151E+01 -0.24682E-01 16799 0.516E-01 0.909E+00
RMM: 33 -0.409093316823E+03 -0.11741E+01 -0.12887E-01 15349 0.357E-01 0.101E+01
RMM: 34 -0.409555292231E+03 -0.46198E+00 -0.46427E-02 14416 0.202E-01 0.119E+01
RMM: 35 -0.408579065428E+03 0.97623E+00 -0.17124E-01 16913 0.444E-01 0.893E+00
RMM: 36 -0.410308268237E+03 -0.17292E+01 -0.39631E-01 17538 0.616E-01 0.710E+00
RMM: 37 -0.410894512634E+03 -0.58624E+00 -0.27339E-01 17649 0.587E-01 0.696E+00
RMM: 38 -0.410592055648E+03 0.30246E+00 -0.27468E-01 17261 0.557E-01 0.106E+01
RMM: 39 -0.410581135527E+03 0.10920E-01 -0.10755E-01 15167 0.339E-01 0.893E+00
RMM: 40 -0.410919790625E+03 -0.33866E+00 -0.18389E-02 13377 0.151E-01 0.101E+01
RMM: 41 -0.411167568133E+03 -0.24778E+00 -0.22184E-02 13679 0.169E-01 0.105E+01
RMM: 42 -0.412718246355E+03 -0.15507E+01 -0.39344E-01 17168 0.613E-01 0.951E+00
RMM: 43 -0.414125923682E+03 -0.14077E+01 -0.43063E-01 17542 0.666E-01 0.106E+01
RMM: 44 -0.414342814811E+03 -0.21689E+00 -0.12436E-01 16081 0.362E-01 0.102E+01
RMM: 45 -0.414389858318E+03 -0.47044E-01 -0.33757E-02 14545 0.209E-01 0.895E+00
RMM: 46 -0.414761668736E+03 -0.37181E+00 -0.33433E-02 14486 0.215E-01 0.766E+00
RMM: 47 -0.415029995252E+03 -0.26833E+00 -0.28641E-02 14218 0.201E-01 0.637E+00
RMM: 48 -0.415307509934E+03 -0.27751E+00 -0.15935E-02 13153 0.149E-01 0.512E+00
RMM: 49 -0.415756303894E+03 -0.44879E+00 -0.22858E-02 14011 0.168E-01 0.329E+00
RMM: 50 -0.416400577274E+03 -0.64427E+00 -0.13611E-02 12962 0.133E-01 0.230E+00
RMM: 51 -0.416468856812E+03 -0.68280E-01 -0.96112E-02 16243 0.315E-01 0.349E+00
RMM: 52 -0.416069620870E+03 0.39924E+00 -0.45739E-03 11157 0.906E-02 0.329E+00
RMM: 53 -0.415925288937E+03 0.14433E+00 -0.16996E-03 10581 0.455E-02 0.325E+00
RMM: 54 -0.416012209770E+03 -0.86921E-01 -0.60283E-03 12370 0.816E-02 0.323E+00
RMM: 55 -0.416215799968E+03 -0.20359E+00 -0.12740E-02 13919 0.122E-01 0.354E+00
RMM: 56 -0.416291254485E+03 -0.75455E-01 -0.24836E-02 15172 0.166E-01 0.466E+00
RMM: 57 -0.415959909381E+03 0.33135E+00 -0.28689E-03 11347 0.681E-02 0.481E+00
RMM: 58 -0.416117741325E+03 -0.15783E+00 -0.67513E-03 12573 0.889E-02 0.528E+00
RMM: 59 -0.416319301522E+03 -0.20156E+00 -0.86871E-03 12965 0.106E-01 0.548E+00
RMM: 60 -0.416398618126E+03 -0.79317E-01 -0.25008E-03 11100 0.601E-02 0.527E+00
RMM: 61 -0.416645794324E+03 -0.24718E+00 -0.68753E-03 12255 0.102E-01 0.509E+00
RMM: 62 -0.416755855463E+03 -0.11006E+00 -0.96242E-03 13342 0.108E-01 0.427E+00
RMM: 63 -0.416949670472E+03 -0.19382E+00 -0.40955E-03 11714 0.730E-02 0.403E+00
RMM: 64 -0.417007567224E+03 -0.57897E-01 -0.96598E-03 13552 0.939E-02 0.297E+00
RMM: 65 -0.417040010622E+03 -0.32443E-01 -0.33286E-03 11928 0.637E-02 0.250E+00
RMM: 66 -0.417123285050E+03 -0.83274E-01 -0.38762E-03 11629 0.702E-02 0.233E+00
RMM: 67 -0.417271061136E+03 -0.14778E+00 -0.37516E-03 11702 0.574E-02 0.201E+00
RMM: 68 -0.417425728167E+03 -0.15467E+00 -0.34291E-03 11906 0.561E-02 0.143E+00
RMM: 69 -0.417519942394E+03 -0.94214E-01 -0.24470E-03 11642 0.498E-02 0.866E-01
RMM: 70 -0.417575786232E+03 -0.55844E-01 -0.17408E-03 11412 0.433E-02 0.475E-01
RMM: 71 -0.417634269642E+03 -0.58483E-01 -0.33395E-03 12316 0.615E-02 0.379E-01
RMM: 72 -0.417649074142E+03 -0.14805E-01 -0.38391E-04 10346 0.262E-02 0.361E-01
RMM: 73 -0.417657287205E+03 -0.82131E-02 -0.40444E-04 10589 0.242E-02 0.248E-01
RMM: 74 -0.417662092469E+03 -0.48053E-02 -0.10848E-04 10081 0.140E-02 0.207E-01
RMM: 75 -0.417668924436E+03 -0.68320E-02 -0.50469E-05 8742 0.839E-03 0.189E-01
RMM: 76 -0.417668719123E+03 0.20531E-03 -0.16322E-04 10907 0.148E-02 0.123E-01
RMM: 77 -0.417695561769E+03 -0.26843E-01 -0.10732E-04 9847 0.105E-02 0.113E-01
RMM: 78 -0.417715626350E+03 -0.20065E-01 -0.12322E-04 10442 0.120E-02 0.902E-02
RMM: 79 -0.417719934435E+03 -0.43081E-02 -0.32127E-05 7166 0.640E-03 0.744E-02
RMM: 80 -0.417722256675E+03 -0.23222E-02 -0.33737E-05 7301 0.627E-03 0.520E-02
RMM: 81 -0.417723137443E+03 -0.88077E-03 -0.63127E-05 9308 0.856E-03 0.292E-02
RMM: 82 -0.417724901589E+03 -0.17641E-02 -0.12487E-05 6803 0.379E-03 0.234E-02
RMM: 83 -0.417726908124E+03 -0.20065E-02 -0.29063E-05 7437 0.416E-03 0.190E-02
RMM: 84 -0.417727887950E+03 -0.97983E-03 -0.15162E-05 7033 0.306E-03 0.141E-02
RMM: 85 -0.417728396166E+03 -0.50822E-03 -0.67722E-06 5976 0.202E-03 0.131E-02
RMM: 86 -0.417728682344E+03 -0.28618E-03 -0.22346E-06 6125 0.162E-03 0.799E-03
RMM: 87 -0.417729092407E+03 -0.41006E-03 -0.26710E-06 4408 0.139E-03 0.861E-03
RMM: 88 -0.417729389168E+03 -0.29676E-03 -0.21635E-06 4361 0.130E-03 0.534E-03
RMM: 89 -0.417729495224E+03 -0.10606E-03 -0.86077E-07 3531 0.104E-03 0.339E-03
RMM: 90 -0.417729596830E+03 -0.10161E-03 -0.10071E-06 3952 0.109E-03 0.184E-03
RMM: 91 -0.417729628174E+03 -0.31344E-04 -0.53321E-07 3487 0.988E-04 0.133E-03
RMM: 92 -0.417729652423E+03 -0.24249E-04 -0.10773E-07 2504 0.811E-04 0.120E-03
RMM: 93 -0.417729670634E+03 -0.18211E-04 -0.21489E-07 2752 0.851E-04 0.578E-04
RMM: 94 -0.417729682250E+03 -0.11616E-04 -0.16700E-07 2623 0.836E-04 0.450E-04
RMM: 95 -0.417729691018E+03 -0.87681E-05 -0.24159E-07 2805 0.843E-04
1 F= -.45538251E+03 E0= -.45538314E+03 d E =0.187635E-02 mag= 0.0002