iterations/neb3_max1_image05_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422362760317E+04 0.42236E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104283729947E+03 -0.43279E+04 -0.39307E+04 11008 0.248E+02
DAV: 3 -0.426149776855E+03 -0.32187E+03 -0.30136E+03 10312 0.656E+01
DAV: 4 -0.434604217785E+03 -0.84544E+01 -0.83388E+01 10904 0.107E+01
DAV: 5 -0.434888869666E+03 -0.28465E+00 -0.28391E+00 11216 0.190E+00 0.102E+02
RMM: 6 -0.382832138927E+03 0.52057E+02 -0.10830E+02 9694 0.142E+01 0.705E+01
RMM: 7 -0.738797508494E+03 -0.35597E+03 -0.37116E+02 11040 0.188E+01 0.140E+02
RMM: 8 -0.508115065308E+03 0.23068E+03 -0.11881E+02 10146 0.115E+01 0.918E+01
RMM: 9 -0.401895789778E+03 0.10622E+03 -0.66616E+01 10231 0.105E+01 0.504E+01
RMM: 10 -0.392273988173E+03 0.96218E+01 -0.40590E+01 10171 0.828E+00 0.444E+01
RMM: 11 -0.390324256983E+03 0.19497E+01 -0.22798E+01 10283 0.591E+00 0.458E+01
RMM: 12 -0.377497473508E+03 0.12827E+02 -0.66628E+00 9932 0.356E+00 0.292E+01
RMM: 13 -0.374795726760E+03 0.27017E+01 -0.27135E+00 10102 0.216E+00 0.244E+01
RMM: 14 -0.374375031062E+03 0.42070E+00 -0.13712E+00 10239 0.153E+00 0.156E+01
RMM: 15 -0.377193234763E+03 -0.28182E+01 -0.11447E+00 10410 0.140E+00 0.117E+01
RMM: 16 -0.383710320903E+03 -0.65171E+01 -0.12996E+00 10745 0.148E+00 0.172E+01
RMM: 17 -0.385814128273E+03 -0.21038E+01 -0.10744E+00 10650 0.131E+00 0.142E+01
RMM: 18 -0.388981125806E+03 -0.31670E+01 -0.10544E+00 10883 0.123E+00 0.103E+01
RMM: 19 -0.393930572990E+03 -0.49494E+01 -0.15678E+00 11502 0.139E+00 0.713E+00
RMM: 20 -0.397136554615E+03 -0.32060E+01 -0.78126E-01 10973 0.103E+00 0.692E+00
RMM: 21 -0.399697450024E+03 -0.25609E+01 -0.86159E-01 11403 0.989E-01 0.714E+00
RMM: 22 -0.401842034073E+03 -0.21446E+01 -0.66759E-01 11363 0.836E-01 0.711E+00
RMM: 23 -0.405319992349E+03 -0.34780E+01 -0.14854E+00 12415 0.110E+00 0.718E+00
RMM: 24 -0.407891799558E+03 -0.25718E+01 -0.10680E+00 12278 0.932E-01 0.675E+00
RMM: 25 -0.409534497008E+03 -0.16427E+01 -0.47811E-01 11559 0.625E-01 0.590E+00
RMM: 26 -0.409536220347E+03 -0.17233E-02 -0.19400E-02 10614 0.156E-01 0.590E+00
RMM: 27 -0.409577618400E+03 -0.41398E-01 -0.60474E-03 11220 0.741E-02 0.589E+00
RMM: 28 -0.409687747403E+03 -0.11013E+00 -0.55380E-03 10479 0.831E-02 0.584E+00
RMM: 29 -0.409905314283E+03 -0.21757E+00 -0.10073E-02 11243 0.965E-02 0.582E+00
RMM: 30 -0.409940638608E+03 -0.35324E-01 -0.13260E-03 10392 0.383E-02 0.580E+00
RMM: 31 -0.409982200210E+03 -0.41562E-01 -0.58205E-04 10503 0.240E-02 0.581E+00
RMM: 32 -0.409980242297E+03 0.19579E-02 -0.10128E-04 9208 0.101E-02 0.580E+00
RMM: 33 -0.410305236766E+03 -0.32499E+00 -0.39689E-02 17900 0.212E-01 0.620E+00
RMM: 34 -0.411573645409E+03 -0.12684E+01 -0.54400E-01 17920 0.778E-01 0.612E+00
RMM: 35 -0.411415215930E+03 0.15843E+00 -0.11733E-01 17920 0.421E-01 0.707E+00
RMM: 36 -0.410340681798E+03 0.10745E+01 -0.99748E-02 17918 0.389E-01 0.728E+00
RMM: 37 -0.409950829142E+03 0.38985E+00 -0.32686E-01 17920 0.662E-01 0.838E+00
RMM: 38 -0.409735199671E+03 0.21563E+00 -0.27207E-01 17920 0.608E-01 0.996E+00
RMM: 39 -0.408938706352E+03 0.79649E+00 -0.20073E-01 17920 0.569E-01 0.120E+01
RMM: 40 -0.409110419203E+03 -0.17171E+00 -0.76349E-02 17919 0.351E-01 0.108E+01
RMM: 41 -0.409843712774E+03 -0.73329E+00 -0.17216E-01 17920 0.512E-01 0.898E+00
RMM: 42 -0.411040629244E+03 -0.11969E+01 -0.18769E-01 17920 0.520E-01 0.728E+00
RMM: 43 -0.411783952051E+03 -0.74332E+00 -0.50872E-02 17916 0.270E-01 0.648E+00
RMM: 44 -0.412636585242E+03 -0.85263E+00 -0.10041E-01 17920 0.389E-01 0.544E+00
RMM: 45 -0.413903451042E+03 -0.12669E+01 -0.13160E-01 17920 0.446E-01 0.504E+00
RMM: 46 -0.415328519385E+03 -0.14251E+01 -0.11615E-01 17920 0.418E-01 0.423E+00
RMM: 47 -0.415666698852E+03 -0.33818E+00 -0.78028E-03 17082 0.113E-01 0.401E+00
RMM: 48 -0.415655622324E+03 0.11077E-01 -0.21263E-04 11050 0.213E-02 0.397E+00
RMM: 49 -0.415774931808E+03 -0.11931E+00 -0.10261E-01 17920 0.403E-01 0.318E+00
RMM: 50 -0.415368931038E+03 0.40600E+00 -0.88216E-02 17918 0.364E-01 0.350E+00
RMM: 51 -0.414484330615E+03 0.88460E+00 -0.11625E-01 17920 0.384E-01 0.448E+00
RMM: 52 -0.414792026311E+03 -0.30770E+00 -0.13559E-01 17920 0.446E-01 0.575E+00
RMM: 53 -0.414917894315E+03 -0.12587E+00 -0.56627E-03 16811 0.877E-02 0.592E+00
RMM: 54 -0.415167106685E+03 -0.24921E+00 -0.26365E-02 17899 0.190E-01 0.652E+00
RMM: 55 -0.415377525572E+03 -0.21042E+00 -0.16178E-02 17834 0.150E-01 0.698E+00
RMM: 56 -0.415423356218E+03 -0.45831E-01 -0.33805E-02 17907 0.232E-01 0.611E+00
RMM: 57 -0.415579217390E+03 -0.15586E+00 -0.43639E-03 16063 0.721E-02 0.599E+00
RMM: 58 -0.415795655826E+03 -0.21644E+00 -0.25553E-03 15067 0.539E-02 0.604E+00
RMM: 59 -0.416058449829E+03 -0.26279E+00 -0.48925E-03 15646 0.676E-02 0.593E+00
RMM: 60 -0.416409061090E+03 -0.35061E+00 -0.75595E-03 15866 0.762E-02 0.588E+00
RMM: 61 -0.416722878555E+03 -0.31382E+00 -0.76076E-03 15963 0.853E-02 0.599E+00
RMM: 62 -0.416883999985E+03 -0.16112E+00 -0.50226E-03 15746 0.733E-02 0.576E+00
RMM: 63 -0.417023887722E+03 -0.13989E+00 -0.63864E-03 16852 0.867E-02 0.540E+00
RMM: 64 -0.417111432397E+03 -0.87545E-01 -0.11172E-02 17707 0.122E-01 0.486E+00
RMM: 65 -0.417135242115E+03 -0.23810E-01 -0.20814E-03 15091 0.530E-02 0.462E+00
RMM: 66 -0.417141452244E+03 -0.62101E-02 -0.13622E-03 14429 0.422E-02 0.445E+00
RMM: 67 -0.417182708546E+03 -0.41256E-01 -0.29258E-03 15700 0.594E-02 0.416E+00
RMM: 68 -0.417208176499E+03 -0.25468E-01 -0.14381E-03 14568 0.413E-02 0.396E+00
RMM: 69 -0.417226013230E+03 -0.17837E-01 -0.23968E-03 15126 0.577E-02 0.370E+00
RMM: 70 -0.417241974358E+03 -0.15961E-01 -0.14340E-03 14478 0.429E-02 0.347E+00
RMM: 71 -0.417251432045E+03 -0.94577E-02 -0.11704E-03 14172 0.399E-02 0.326E+00
RMM: 72 -0.417261154089E+03 -0.97220E-02 -0.22026E-03 14966 0.547E-02 0.300E+00
RMM: 73 -0.417265113778E+03 -0.39597E-02 -0.21754E-03 14789 0.544E-02 0.272E+00
RMM: 74 -0.417266107783E+03 -0.99400E-03 -0.83160E-04 13541 0.334E-02 0.256E+00
RMM: 75 -0.417266437172E+03 -0.32939E-03 -0.13269E-03 14349 0.423E-02 0.233E+00
RMM: 76 -0.417190169149E+03 0.76268E-01 -0.14748E-01 17918 0.453E-01 0.334E-01
RMM: 77 -0.417204146362E+03 -0.13977E-01 -0.87370E-04 14080 0.372E-02 0.317E-01
RMM: 78 -0.417224794154E+03 -0.20648E-01 -0.18173E-04 11158 0.173E-02 0.242E-01
RMM: 79 -0.417244840570E+03 -0.20046E-01 -0.20304E-04 11273 0.165E-02 0.192E-01
RMM: 80 -0.417257485255E+03 -0.12645E-01 -0.11013E-04 10443 0.118E-02 0.155E-01
RMM: 81 -0.417266209237E+03 -0.87240E-02 -0.12466E-04 10882 0.131E-02 0.948E-02
RMM: 82 -0.417270701706E+03 -0.44925E-02 -0.75532E-05 9773 0.992E-03 0.592E-02
RMM: 83 -0.417272484445E+03 -0.17827E-02 -0.29959E-05 7693 0.540E-03 0.502E-02
RMM: 84 -0.417274474302E+03 -0.19899E-02 -0.38486E-05 7754 0.537E-03 0.450E-02
RMM: 85 -0.417275682144E+03 -0.12078E-02 -0.28886E-05 7386 0.482E-03 0.261E-02
RMM: 86 -0.417276586674E+03 -0.90453E-03 -0.21618E-05 7100 0.411E-03 0.149E-02
RMM: 87 -0.417277570456E+03 -0.98378E-03 -0.15825E-05 7067 0.315E-03 0.129E-02
RMM: 88 -0.417278374155E+03 -0.80370E-03 -0.16225E-05 7023 0.293E-03 0.868E-03
RMM: 89 -0.417278796146E+03 -0.42199E-03 -0.11606E-05 6872 0.257E-03 0.434E-03
RMM: 90 -0.417278920960E+03 -0.12481E-03 -0.45835E-06 4704 0.159E-03 0.335E-03
RMM: 91 -0.417278957135E+03 -0.36175E-04 -0.12827E-06 3694 0.113E-03 0.376E-03
RMM: 92 -0.417278985070E+03 -0.27935E-04 -0.14684E-06 4212 0.122E-03 0.520E-03
RMM: 93 -0.417278992664E+03 -0.75944E-05 -0.64868E-07 3439 0.100E-03
1 F= -.45495073E+03 E0= -.45495154E+03 d E =0.243206E-02 mag= -0.0002