iterations/neb1_max2_image01_iter30_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422479172168E+04 0.42248E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.104657920831E+03 -0.43294E+04 -0.39256E+04 11016 0.248E+02
DAV: 3 -0.427164306694E+03 -0.32251E+03 -0.30134E+03 10232 0.657E+01
DAV: 4 -0.435611808209E+03 -0.84475E+01 -0.83489E+01 10664 0.107E+01
DAV: 5 -0.435912608930E+03 -0.30080E+00 -0.29998E+00 11136 0.197E+00 0.999E+01
RMM: 6 -0.389060935793E+03 0.46852E+02 -0.11133E+02 9712 0.146E+01 0.733E+01
RMM: 7 -0.807867215922E+03 -0.41881E+03 -0.44916E+02 11316 0.195E+01 0.150E+02
RMM: 8 -0.498917454728E+03 0.30895E+03 -0.11734E+02 10020 0.114E+01 0.917E+01
RMM: 9 -0.418181556515E+03 0.80736E+02 -0.66632E+01 10181 0.106E+01 0.572E+01
RMM: 10 -0.401504891910E+03 0.16677E+02 -0.42565E+01 10331 0.857E+00 0.465E+01
RMM: 11 -0.385772595215E+03 0.15732E+02 -0.25261E+01 10331 0.592E+00 0.435E+01
RMM: 12 -0.373765750340E+03 0.12007E+02 -0.80038E+00 10004 0.381E+00 0.294E+01
RMM: 13 -0.373820761422E+03 -0.55011E-01 -0.36514E+00 10170 0.256E+00 0.226E+01
RMM: 14 -0.372659877614E+03 0.11609E+01 -0.13497E+00 10137 0.154E+00 0.150E+01
RMM: 15 -0.376368931483E+03 -0.37091E+01 -0.13211E+00 10421 0.146E+00 0.117E+01
RMM: 16 -0.381308102662E+03 -0.49392E+01 -0.11211E+00 10425 0.138E+00 0.117E+01
RMM: 17 -0.388089394505E+03 -0.67813E+01 -0.24503E+00 11522 0.186E+00 0.103E+01
RMM: 18 -0.391289501883E+03 -0.32001E+01 -0.10314E+00 10710 0.121E+00 0.704E+00
RMM: 19 -0.393916169310E+03 -0.26267E+01 -0.35570E-01 10290 0.731E-01 0.701E+00
RMM: 20 -0.396835167782E+03 -0.29190E+01 -0.61776E-01 11225 0.864E-01 0.739E+00
RMM: 21 -0.400267333102E+03 -0.34322E+01 -0.11659E+00 12131 0.113E+00 0.661E+00
RMM: 22 -0.404019042993E+03 -0.37517E+01 -0.16388E+00 12645 0.123E+00 0.501E+00
RMM: 23 -0.408595843533E+03 -0.45768E+01 -0.21853E+00 13137 0.131E+00 0.591E+00
RMM: 24 -0.410010306308E+03 -0.14145E+01 -0.48061E-01 11625 0.646E-01 0.563E+00
RMM: 25 -0.410589577507E+03 -0.57927E+00 -0.10497E-01 10709 0.306E-01 0.571E+00
RMM: 26 -0.410541827248E+03 0.47750E-01 -0.14623E-02 11161 0.109E-01 0.578E+00
RMM: 27 -0.410429277987E+03 0.11255E+00 -0.49666E-03 10220 0.820E-02 0.612E+00
RMM: 28 -0.409893813570E+03 0.53546E+00 -0.17488E-01 15199 0.445E-01 0.695E+00
RMM: 29 -0.408697106106E+03 0.11967E+01 -0.34585E-01 16242 0.621E-01 0.837E+00
RMM: 30 -0.408439737040E+03 0.25737E+00 -0.23621E-03 10675 0.712E-02 0.832E+00
RMM: 31 -0.409130212335E+03 -0.69048E+00 -0.40027E-01 17033 0.637E-01 0.699E+00
RMM: 32 -0.409719312058E+03 -0.58910E+00 -0.77446E-01 17706 0.853E-01 0.864E+00
RMM: 33 -0.410228660933E+03 -0.50935E+00 -0.17509E-01 16358 0.388E-01 0.755E+00
RMM: 34 -0.410634307257E+03 -0.40565E+00 -0.76594E-02 15390 0.278E-01 0.701E+00
RMM: 35 -0.411192089706E+03 -0.55778E+00 -0.26523E-01 16859 0.523E-01 0.702E+00
RMM: 36 -0.411849455754E+03 -0.65737E+00 -0.19824E-02 12910 0.166E-01 0.662E+00
RMM: 37 -0.412237623597E+03 -0.38817E+00 -0.16017E-02 12698 0.150E-01 0.636E+00
RMM: 38 -0.413423022390E+03 -0.11854E+01 -0.72062E-02 15489 0.313E-01 0.406E+00
RMM: 39 -0.414792127889E+03 -0.13691E+01 -0.67303E-02 15583 0.311E-01 0.270E+00
RMM: 40 -0.415460792132E+03 -0.66866E+00 -0.41722E-02 15000 0.249E-01 0.197E+00
RMM: 41 -0.415601367566E+03 -0.14058E+00 -0.18133E-02 13154 0.154E-01 0.161E+00
RMM: 42 -0.415798704517E+03 -0.19734E+00 -0.14861E-02 12387 0.128E-01 0.137E+00
RMM: 43 -0.416088257070E+03 -0.28955E+00 -0.14070E-02 12242 0.118E-01 0.469E+00
RMM: 44 -0.415871350453E+03 0.21691E+00 -0.15349E-02 12338 0.143E-01 0.105E+00
RMM: 45 -0.416261197082E+03 -0.38985E+00 -0.10597E-02 12154 0.125E-01 0.857E-01
RMM: 46 -0.416381599533E+03 -0.12040E+00 -0.53703E-03 11318 0.869E-02 0.774E-01
RMM: 47 -0.416503313637E+03 -0.12171E+00 -0.10398E-02 12452 0.107E-01 0.706E-01
RMM: 48 -0.416589706730E+03 -0.86393E-01 -0.11688E-02 12579 0.106E-01 0.575E-01
RMM: 49 -0.416676724735E+03 -0.87018E-01 -0.11096E-02 12417 0.100E-01 0.478E-01
RMM: 50 -0.416781937027E+03 -0.10521E+00 -0.86470E-03 12165 0.879E-02 0.454E-01
RMM: 51 -0.416764615241E+03 0.17322E-01 -0.78778E-03 11969 0.908E-02 0.351E-01
RMM: 52 -0.416796186523E+03 -0.31571E-01 -0.20436E-03 10735 0.510E-02 0.237E-01
RMM: 53 -0.416836387342E+03 -0.40201E-01 -0.45879E-03 11782 0.648E-02 0.251E-01
RMM: 54 -0.416903436358E+03 -0.67049E-01 -0.18390E-03 11041 0.409E-02 0.150E-01
RMM: 55 -0.416956806440E+03 -0.53370E-01 -0.13252E-03 10930 0.356E-02 0.138E-01
RMM: 56 -0.416981894114E+03 -0.25088E-01 -0.46513E-04 10592 0.228E-02 0.123E-01
RMM: 57 -0.417026124861E+03 -0.44231E-01 -0.43860E-04 10971 0.184E-02 0.126E-01
RMM: 58 -0.417062422831E+03 -0.36298E-01 -0.19752E-04 10083 0.128E-02 0.709E-02
RMM: 59 -0.417077814916E+03 -0.15392E-01 -0.21065E-04 10560 0.128E-02 0.758E-02
RMM: 60 -0.417079186998E+03 -0.13721E-02 -0.47076E-05 8648 0.770E-03 0.539E-02
RMM: 61 -0.417080621283E+03 -0.14343E-02 -0.41594E-05 8218 0.693E-03 0.491E-02
RMM: 62 -0.417081059469E+03 -0.43819E-03 -0.14999E-05 6512 0.415E-03 0.397E-02
RMM: 63 -0.417081424284E+03 -0.36482E-03 -0.12052E-05 6661 0.342E-03 0.381E-02
RMM: 64 -0.417081692995E+03 -0.26871E-03 -0.11094E-05 6587 0.344E-03 0.315E-02
RMM: 65 -0.417082001355E+03 -0.30836E-03 -0.44127E-06 6184 0.213E-03 0.268E-02
RMM: 66 -0.417082091462E+03 -0.90107E-04 -0.35273E-06 6131 0.192E-03 0.226E-02
RMM: 67 -0.417082173557E+03 -0.82094E-04 -0.20435E-06 5849 0.163E-03 0.188E-02
RMM: 68 -0.417082221592E+03 -0.48035E-04 -0.43011E-06 6449 0.201E-03 0.184E-02
RMM: 69 -0.417082267569E+03 -0.45977E-04 -0.11041E-06 3931 0.114E-03 0.180E-02
RMM: 70 -0.417082308033E+03 -0.40464E-04 -0.12313E-06 4325 0.115E-03 0.135E-02
RMM: 71 -0.417082438226E+03 -0.13019E-03 -0.17217E-06 4882 0.125E-03 0.132E-02
RMM: 72 -0.417082556028E+03 -0.11780E-03 -0.24939E-06 5562 0.152E-03 0.163E-02
RMM: 73 -0.417082585751E+03 -0.29722E-04 -0.30307E-07 3084 0.928E-04 0.133E-02
RMM: 74 -0.417082625906E+03 -0.40156E-04 -0.10151E-06 4324 0.115E-03 0.122E-02
RMM: 75 -0.417082647509E+03 -0.21603E-04 -0.32105E-07 3178 0.937E-04 0.135E-02
RMM: 76 -0.417082646609E+03 0.89990E-06 -0.13617E-07 2625 0.869E-04
1 F= -.45478162E+03 E0= -.45478168E+03 d E =0.182765E-03 mag= -0.0018