iterations/neb3_max2_image01_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422734618357E+04 0.42273E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.103045372243E+03 -0.43304E+04 -0.39277E+04 11016 0.248E+02
DAV: 3 -0.425646314312E+03 -0.32260E+03 -0.30206E+03 10248 0.657E+01
DAV: 4 -0.434225638503E+03 -0.85793E+01 -0.84402E+01 10864 0.107E+01
DAV: 5 -0.434524478672E+03 -0.29884E+00 -0.29804E+00 11088 0.195E+00 0.987E+01
RMM: 6 -0.386600433461E+03 0.47924E+02 -0.11146E+02 9697 0.146E+01 0.724E+01
RMM: 7 -0.796158163863E+03 -0.40956E+03 -0.43126E+02 11250 0.194E+01 0.159E+02
RMM: 8 -0.493364702306E+03 0.30279E+03 -0.98385E+01 9934 0.106E+01 0.907E+01
RMM: 9 -0.445731298834E+03 0.47633E+02 -0.65457E+01 10211 0.104E+01 0.691E+01
RMM: 10 -0.371280343148E+03 0.74451E+02 -0.33522E+01 10273 0.742E+00 0.230E+01
RMM: 11 -0.373018448557E+03 -0.17381E+01 -0.18390E+01 10348 0.495E+00 0.295E+01
RMM: 12 -0.372690638068E+03 0.32781E+00 -0.47717E+00 10111 0.282E+00 0.252E+01
RMM: 13 -0.374314957859E+03 -0.16243E+01 -0.32159E+00 10194 0.252E+00 0.149E+01
RMM: 14 -0.379184546176E+03 -0.48696E+01 -0.15690E+00 10165 0.169E+00 0.158E+01
RMM: 15 -0.381294484301E+03 -0.21099E+01 -0.83782E-01 10186 0.119E+00 0.140E+01
RMM: 16 -0.387117989331E+03 -0.58235E+01 -0.17095E+00 11277 0.156E+00 0.138E+01
RMM: 17 -0.391052797571E+03 -0.39348E+01 -0.16126E+00 11202 0.147E+00 0.896E+00
RMM: 18 -0.394108523867E+03 -0.30557E+01 -0.68357E-01 10621 0.983E-01 0.732E+00
RMM: 19 -0.395854006917E+03 -0.17455E+01 -0.21498E-01 10255 0.557E-01 0.669E+00
RMM: 20 -0.398293881975E+03 -0.24399E+01 -0.51416E-01 11460 0.748E-01 0.689E+00
RMM: 21 -0.400833226238E+03 -0.25393E+01 -0.62092E-01 11908 0.804E-01 0.576E+00
RMM: 22 -0.405349590231E+03 -0.45164E+01 -0.13823E+00 13021 0.110E+00 0.463E+00
RMM: 23 -0.409321373825E+03 -0.39718E+01 -0.13453E+00 12916 0.106E+00 0.443E+00
RMM: 24 -0.410987391271E+03 -0.16660E+01 -0.50760E-01 11836 0.666E-01 0.481E+00
RMM: 25 -0.411349985372E+03 -0.36259E+00 -0.35671E-02 10428 0.202E-01 0.481E+00
RMM: 26 -0.410910126897E+03 0.43986E+00 -0.57691E-02 10633 0.282E-01 0.488E+00
RMM: 27 -0.410351624633E+03 0.55850E+00 -0.16679E-01 12330 0.490E-01 0.552E+00
RMM: 28 -0.410056350648E+03 0.29527E+00 -0.15403E-01 12287 0.491E-01 0.648E+00
RMM: 29 -0.409831984703E+03 0.22437E+00 -0.23923E-02 10314 0.196E-01 0.702E+00
RMM: 30 -0.410754004292E+03 -0.92202E+00 -0.81526E-01 15166 0.984E-01 0.566E+00
RMM: 31 -0.411623233266E+03 -0.86923E+00 -0.58874E-01 15100 0.734E-01 0.668E+00
RMM: 32 -0.412794170698E+03 -0.11709E+01 -0.35475E-01 14442 0.565E-01 0.529E+00
RMM: 33 -0.413602232366E+03 -0.80806E+00 -0.12745E-01 12626 0.398E-01 0.412E+00
RMM: 34 -0.413715420812E+03 -0.11319E+00 -0.10486E-02 10449 0.132E-01 0.377E+00
RMM: 35 -0.413995646173E+03 -0.28023E+00 -0.10150E-02 10561 0.128E-01 0.320E+00
RMM: 36 -0.414710591469E+03 -0.71495E+00 -0.40950E-02 12499 0.257E-01 0.287E+00
RMM: 37 -0.414863131581E+03 -0.15254E+00 -0.12922E-02 10955 0.152E-01 0.234E+00
RMM: 38 -0.414971771566E+03 -0.10864E+00 -0.13663E-02 10899 0.142E-01 0.177E+00
RMM: 39 -0.415226706786E+03 -0.25494E+00 -0.96466E-03 10664 0.116E-01 0.128E+00
RMM: 40 -0.415410410351E+03 -0.18370E+00 -0.38797E-03 10337 0.723E-02 0.108E+00
RMM: 41 -0.415490404826E+03 -0.79994E-01 -0.17503E-03 10328 0.481E-02 0.977E-01
RMM: 42 -0.415633007502E+03 -0.14260E+00 -0.64492E-03 12278 0.835E-02 0.777E-01
RMM: 43 -0.415725820892E+03 -0.92813E-01 -0.11197E-02 13129 0.104E-01 0.480E-01
RMM: 44 -0.415791569615E+03 -0.65749E-01 -0.77338E-03 12605 0.845E-02 0.481E-01
RMM: 45 -0.415838437435E+03 -0.46868E-01 -0.97945E-03 12801 0.893E-02 0.427E-01
RMM: 46 -0.415915963923E+03 -0.77526E-01 -0.82299E-03 12465 0.837E-02 0.366E-01
RMM: 47 -0.415978525976E+03 -0.62562E-01 -0.32191E-03 11389 0.547E-02 0.308E-01
RMM: 48 -0.416019795171E+03 -0.41269E-01 -0.32524E-03 11465 0.559E-02 0.189E-01
RMM: 49 -0.416047666039E+03 -0.27871E-01 -0.17655E-03 11134 0.385E-02 0.186E-01
RMM: 50 -0.416094627463E+03 -0.46961E-01 -0.13815E-03 11321 0.315E-02 0.157E-01
RMM: 51 -0.416152329085E+03 -0.57702E-01 -0.16038E-03 11941 0.345E-02 0.166E-01
RMM: 52 -0.416187680336E+03 -0.35351E-01 -0.45942E-04 10999 0.194E-02 0.105E-01
RMM: 53 -0.416210435386E+03 -0.22755E-01 -0.28797E-04 10946 0.160E-02 0.954E-02
RMM: 54 -0.416218599824E+03 -0.81644E-02 -0.86293E-05 9158 0.886E-03 0.730E-02
RMM: 55 -0.416224698459E+03 -0.60986E-02 -0.11165E-04 9633 0.954E-03 0.391E-02
RMM: 56 -0.416225106898E+03 -0.40844E-03 -0.35142E-05 7845 0.706E-03 0.298E-02
RMM: 57 -0.416225713464E+03 -0.60657E-03 -0.18948E-05 7118 0.458E-03 0.345E-02
RMM: 58 -0.416226161384E+03 -0.44792E-03 -0.12548E-05 6885 0.313E-03 0.321E-02
RMM: 59 -0.416226689598E+03 -0.52821E-03 -0.13330E-05 6919 0.293E-03 0.197E-02
RMM: 60 -0.416227076197E+03 -0.38660E-03 -0.11279E-05 6701 0.257E-03 0.103E-02
RMM: 61 -0.416227170169E+03 -0.93971E-04 -0.37780E-06 5763 0.180E-03 0.545E-03
RMM: 62 -0.416227368267E+03 -0.19810E-03 -0.23914E-06 4621 0.139E-03 0.342E-03
RMM: 63 -0.416227506645E+03 -0.13838E-03 -0.14490E-06 3897 0.118E-03 0.244E-03
RMM: 64 -0.416227596801E+03 -0.90155E-04 -0.10686E-06 3820 0.111E-03 0.295E-03
RMM: 65 -0.416227699688E+03 -0.10289E-03 -0.10785E-06 4158 0.110E-03 0.801E-03
RMM: 66 -0.416227734621E+03 -0.34933E-04 -0.16178E-07 2627 0.844E-04 0.502E-03
RMM: 67 -0.416227778473E+03 -0.43853E-04 -0.18842E-07 2743 0.866E-04 0.246E-03
RMM: 68 -0.416227814088E+03 -0.35615E-04 -0.60990E-07 3346 0.961E-04 0.468E-03
RMM: 69 -0.416227824042E+03 -0.99536E-05 -0.13119E-07 2576 0.840E-04
1 F= -.45394716E+03 E0= -.45394664E+03 d E =-.156980E-02 mag= -0.0000