iterations/neb3_max2_image04_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422729440931E+04 0.42273E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.102704494080E+03 -0.43300E+04 -0.39255E+04 10992 0.248E+02
DAV: 3 -0.425608558787E+03 -0.32290E+03 -0.30234E+03 10248 0.657E+01
DAV: 4 -0.434160302775E+03 -0.85517E+01 -0.84321E+01 10864 0.107E+01
DAV: 5 -0.434455716657E+03 -0.29541E+00 -0.29463E+00 11032 0.195E+00 0.987E+01
RMM: 6 -0.380903255188E+03 0.53552E+02 -0.11311E+02 9699 0.146E+01 0.695E+01
RMM: 7 -0.648885578997E+03 -0.26798E+03 -0.28280E+02 10655 0.174E+01 0.129E+02
RMM: 8 -0.506954277098E+03 0.14193E+03 -0.10408E+02 10204 0.109E+01 0.904E+01
RMM: 9 -0.407649415995E+03 0.99305E+02 -0.64781E+01 10250 0.102E+01 0.515E+01
RMM: 10 -0.371073433327E+03 0.36576E+02 -0.27272E+01 10118 0.686E+00 0.181E+01
RMM: 11 -0.375214056041E+03 -0.41406E+01 -0.50258E+00 10389 0.271E+00 0.178E+01
RMM: 12 -0.376710551068E+03 -0.14965E+01 -0.28727E+00 10040 0.225E+00 0.153E+01
RMM: 13 -0.378483878178E+03 -0.17733E+01 -0.78198E-01 9984 0.118E+00 0.980E+00
RMM: 14 -0.383924227262E+03 -0.54403E+01 -0.12249E+00 10500 0.145E+00 0.108E+01
RMM: 15 -0.388647945769E+03 -0.47237E+01 -0.13063E+00 10884 0.141E+00 0.119E+01
RMM: 16 -0.389165846261E+03 -0.51790E+00 -0.53562E-01 10324 0.896E-01 0.742E+00
RMM: 17 -0.393214066422E+03 -0.40482E+01 -0.62714E-01 10994 0.890E-01 0.650E+00
RMM: 18 -0.396779664687E+03 -0.35656E+01 -0.11022E+00 11740 0.112E+00 0.557E+00
RMM: 19 -0.401502161733E+03 -0.47225E+01 -0.15180E+00 12282 0.124E+00 0.627E+00
RMM: 20 -0.404663874900E+03 -0.31617E+01 -0.12769E+00 12203 0.107E+00 0.618E+00
RMM: 21 -0.408556765399E+03 -0.38929E+01 -0.19772E+00 12943 0.124E+00 0.517E+00
RMM: 22 -0.410948983152E+03 -0.23922E+01 -0.85253E-01 11868 0.809E-01 0.530E+00
RMM: 23 -0.411214733440E+03 -0.26575E+00 -0.28778E-02 10554 0.194E-01 0.524E+00
RMM: 24 -0.411045064148E+03 0.16967E+00 -0.40809E-02 10492 0.245E-01 0.547E+00
RMM: 25 -0.410987862191E+03 0.57202E-01 -0.38583E-02 10709 0.246E-01 0.542E+00
RMM: 26 -0.410880382312E+03 0.10748E+00 -0.12883E-01 12577 0.464E-01 0.573E+00
RMM: 27 -0.410629642242E+03 0.25074E+00 -0.17654E-01 13507 0.515E-01 0.688E+00
RMM: 28 -0.409964059542E+03 0.66558E+00 -0.62534E-02 11296 0.335E-01 0.840E+00
RMM: 29 -0.411698796716E+03 -0.17347E+01 -0.69510E-01 14984 0.102E+00 0.599E+00
RMM: 30 -0.412605839355E+03 -0.90704E+00 -0.32468E-01 14191 0.614E-01 0.657E+00
RMM: 31 -0.413676495036E+03 -0.10707E+01 -0.30134E-01 14016 0.566E-01 0.623E+00
RMM: 32 -0.414295863427E+03 -0.61937E+00 -0.10998E-01 12168 0.372E-01 0.420E+00
RMM: 33 -0.414330745174E+03 -0.34882E-01 -0.66655E-03 10387 0.103E-01 0.379E+00
RMM: 34 -0.414509101660E+03 -0.17836E+00 -0.10270E-02 10666 0.143E-01 0.330E+00
RMM: 35 -0.414942441696E+03 -0.43334E+00 -0.44827E-02 12857 0.267E-01 0.217E+00
RMM: 36 -0.415069986101E+03 -0.12754E+00 -0.16852E-02 11553 0.158E-01 0.175E+00
RMM: 37 -0.415168968972E+03 -0.98983E-01 -0.12264E-02 11109 0.131E-01 0.117E+00
RMM: 38 -0.415343065821E+03 -0.17410E+00 -0.10554E-02 11191 0.116E-01 0.104E+00
RMM: 39 -0.415461044934E+03 -0.11798E+00 -0.97705E-03 11340 0.104E-01 0.908E-01
RMM: 40 -0.415546020798E+03 -0.84976E-01 -0.64986E-03 11086 0.835E-02 0.729E-01
RMM: 41 -0.415643423556E+03 -0.97403E-01 -0.53654E-03 11157 0.758E-02 0.635E-01
RMM: 42 -0.415693403181E+03 -0.49980E-01 -0.64398E-03 11612 0.786E-02 0.552E-01
RMM: 43 -0.415744824615E+03 -0.51421E-01 -0.42635E-03 11223 0.655E-02 0.433E-01
RMM: 44 -0.415838440287E+03 -0.93616E-01 -0.85994E-03 12226 0.836E-02 0.415E-01
RMM: 45 -0.415955641809E+03 -0.11720E+00 -0.62561E-03 11767 0.709E-02 0.352E-01
RMM: 46 -0.416048874116E+03 -0.93232E-01 -0.46194E-03 11583 0.574E-02 0.333E-01
RMM: 47 -0.416079353340E+03 -0.30479E-01 -0.11213E-03 10826 0.297E-02 0.280E-01
RMM: 48 -0.416107575748E+03 -0.28222E-01 -0.13114E-03 11226 0.300E-02 0.151E-01
RMM: 49 -0.416148312069E+03 -0.40736E-01 -0.98063E-04 11287 0.289E-02 0.119E-01
RMM: 50 -0.416184511712E+03 -0.36200E-01 -0.48905E-04 10973 0.198E-02 0.135E-01
RMM: 51 -0.416195694282E+03 -0.11183E-01 -0.38572E-04 11211 0.189E-02 0.675E-02
RMM: 52 -0.416215004384E+03 -0.19310E-01 -0.23702E-04 10650 0.137E-02 0.574E-02
RMM: 53 -0.416223626510E+03 -0.86221E-02 -0.10776E-04 9540 0.103E-02 0.439E-02
RMM: 54 -0.416227080094E+03 -0.34536E-02 -0.53993E-05 8496 0.693E-03 0.375E-02
RMM: 55 -0.416228148691E+03 -0.10686E-02 -0.18394E-05 7264 0.398E-03 0.296E-02
RMM: 56 -0.416229352732E+03 -0.12040E-02 -0.22905E-05 7341 0.446E-03 0.135E-02
RMM: 57 -0.416230020118E+03 -0.66739E-03 -0.93649E-06 6762 0.280E-03 0.103E-02
RMM: 58 -0.416230485674E+03 -0.46556E-03 -0.55417E-06 5934 0.199E-03 0.885E-03
RMM: 59 -0.416230824481E+03 -0.33881E-03 -0.63212E-06 6231 0.191E-03 0.793E-03
RMM: 60 -0.416230908740E+03 -0.84260E-04 -0.23405E-06 4478 0.134E-03 0.547E-03
RMM: 61 -0.416230995138E+03 -0.86398E-04 -0.43799E-07 3152 0.101E-03 0.463E-03
RMM: 62 -0.416231089994E+03 -0.94856E-04 -0.48275E-07 3422 0.986E-04 0.390E-03
RMM: 63 -0.416231207698E+03 -0.11770E-03 -0.89047E-07 3962 0.106E-03 0.398E-03
RMM: 64 -0.416231247869E+03 -0.40171E-04 -0.75140E-07 3938 0.108E-03 0.142E-02
RMM: 65 -0.416231252039E+03 -0.41698E-05 -0.37310E-07 3155 0.952E-04
1 F= -.45394845E+03 E0= -.45394793E+03 d E =-.155593E-02 mag= -0.0008