iterations/neb1_max2_image01_iter31_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422429280045E+04 0.42243E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.104700595548E+03 -0.43290E+04 -0.39251E+04 11016 0.248E+02
DAV: 3 -0.427190310345E+03 -0.32249E+03 -0.30130E+03 10232 0.657E+01
DAV: 4 -0.435639823128E+03 -0.84495E+01 -0.83504E+01 10648 0.107E+01
DAV: 5 -0.435944382555E+03 -0.30456E+00 -0.30375E+00 11176 0.198E+00 0.997E+01
RMM: 6 -0.389196292294E+03 0.46748E+02 -0.11137E+02 9703 0.146E+01 0.733E+01
RMM: 7 -0.809096915065E+03 -0.41990E+03 -0.44952E+02 11312 0.195E+01 0.150E+02
RMM: 8 -0.498090105383E+03 0.31101E+03 -0.11673E+02 10024 0.113E+01 0.916E+01
RMM: 9 -0.418727144851E+03 0.79363E+02 -0.66387E+01 10172 0.106E+01 0.575E+01
RMM: 10 -0.400635079869E+03 0.18092E+02 -0.42184E+01 10332 0.854E+00 0.472E+01
RMM: 11 -0.384330935054E+03 0.16304E+02 -0.24344E+01 10323 0.579E+00 0.427E+01
RMM: 12 -0.373022922223E+03 0.11308E+02 -0.78920E+00 9995 0.381E+00 0.283E+01
RMM: 13 -0.373543845841E+03 -0.52092E+00 -0.35625E+00 10177 0.252E+00 0.217E+01
RMM: 14 -0.372797887743E+03 0.74596E+00 -0.13720E+00 10153 0.156E+00 0.145E+01
RMM: 15 -0.377132617355E+03 -0.43347E+01 -0.14196E+00 10438 0.153E+00 0.121E+01
RMM: 16 -0.382107283304E+03 -0.49747E+01 -0.12076E+00 10419 0.143E+00 0.124E+01
RMM: 17 -0.388302588989E+03 -0.61953E+01 -0.23803E+00 11404 0.182E+00 0.103E+01
RMM: 18 -0.391332702855E+03 -0.30301E+01 -0.91654E-01 10601 0.114E+00 0.694E+00
RMM: 19 -0.394042060732E+03 -0.27094E+01 -0.34636E-01 10285 0.720E-01 0.670E+00
RMM: 20 -0.397048191999E+03 -0.30061E+01 -0.63318E-01 11267 0.879E-01 0.687E+00
RMM: 21 -0.400498434317E+03 -0.34502E+01 -0.11391E+00 12134 0.112E+00 0.605E+00
RMM: 22 -0.404368521461E+03 -0.38701E+01 -0.15953E+00 12607 0.122E+00 0.477E+00
RMM: 23 -0.408531466923E+03 -0.41629E+01 -0.18070E+00 12902 0.121E+00 0.616E+00
RMM: 24 -0.409704476623E+03 -0.11730E+01 -0.45465E-01 11612 0.625E-01 0.626E+00
RMM: 25 -0.409760820947E+03 -0.56344E-01 -0.47464E-02 10494 0.219E-01 0.582E+00
RMM: 26 -0.409938076477E+03 -0.17726E+00 -0.13869E-02 10851 0.988E-02 0.570E+00
RMM: 27 -0.410057045689E+03 -0.11897E+00 -0.32648E-03 11092 0.493E-02 0.574E+00
RMM: 28 -0.409496095665E+03 0.56095E+00 -0.23675E-01 16736 0.519E-01 0.489E+00
RMM: 29 -0.409538249663E+03 -0.42154E-01 -0.29038E-01 16727 0.578E-01 0.657E+00
RMM: 30 -0.409212943531E+03 0.32531E+00 -0.39241E-03 10994 0.870E-02 0.654E+00
RMM: 31 -0.409984679043E+03 -0.77174E+00 -0.14908E-01 16061 0.422E-01 0.587E+00
RMM: 32 -0.411177261308E+03 -0.11926E+01 -0.15907E-01 16498 0.413E-01 0.677E+00
RMM: 33 -0.411693410609E+03 -0.51615E+00 -0.18830E-01 16877 0.461E-01 0.870E+00
RMM: 34 -0.410428458839E+03 0.12650E+01 -0.23434E-02 12742 0.156E-01 0.772E+00
RMM: 35 -0.411443336706E+03 -0.10149E+01 -0.13571E-01 16241 0.401E-01 0.953E+00
RMM: 36 -0.410783944110E+03 0.65939E+00 -0.57343E-02 15516 0.257E-01 0.723E+00
RMM: 37 -0.412698302092E+03 -0.19144E+01 -0.49214E-01 17741 0.688E-01 0.427E+00
RMM: 38 -0.414695508341E+03 -0.19972E+01 -0.42299E-01 17703 0.624E-01 0.863E+00
RMM: 39 -0.414581775292E+03 0.11373E+00 -0.67550E-02 15811 0.281E-01 0.846E+00
RMM: 40 -0.414730390047E+03 -0.14861E+00 -0.15243E-01 16663 0.482E-01 0.839E+00
RMM: 41 -0.414148511715E+03 0.58188E+00 -0.93151E-02 16095 0.332E-01 0.552E+00
RMM: 42 -0.414899508359E+03 -0.75100E+00 -0.66742E-02 15470 0.271E-01 0.265E+00
RMM: 43 -0.415547210216E+03 -0.64770E+00 -0.36572E-02 15170 0.231E-01 0.279E+00
RMM: 44 -0.415783574002E+03 -0.23636E+00 -0.16558E-02 13379 0.147E-01 0.281E+00
RMM: 45 -0.415776512955E+03 0.70610E-02 -0.12683E-02 12881 0.125E-01 0.277E+00
RMM: 46 -0.415784854168E+03 -0.83412E-02 -0.13650E-02 12926 0.127E-01 0.227E+00
RMM: 47 -0.416002641928E+03 -0.21779E+00 -0.14245E-02 13155 0.131E-01 0.194E+00
RMM: 48 -0.416203209608E+03 -0.20057E+00 -0.58607E-03 11744 0.829E-02 0.186E+00
RMM: 49 -0.416317727806E+03 -0.11452E+00 -0.92547E-03 12208 0.955E-02 0.161E+00
RMM: 50 -0.416427889527E+03 -0.11016E+00 -0.13943E-02 12890 0.120E-01 0.108E+00
RMM: 51 -0.416540593597E+03 -0.11270E+00 -0.56655E-03 11552 0.768E-02 0.840E-01
RMM: 52 -0.416633400921E+03 -0.92807E-01 -0.47441E-03 11449 0.661E-02 0.674E-01
RMM: 53 -0.416708018806E+03 -0.74618E-01 -0.69930E-03 12250 0.766E-02 0.559E-01
RMM: 54 -0.416751531571E+03 -0.43513E-01 -0.28236E-03 11395 0.521E-02 0.447E-01
RMM: 55 -0.416819698972E+03 -0.68167E-01 -0.27238E-03 11643 0.497E-02 0.454E-01
RMM: 56 -0.416848549285E+03 -0.28850E-01 -0.10464E-03 10804 0.387E-02 0.491E-01
RMM: 57 -0.416883236793E+03 -0.34688E-01 -0.94232E-04 10977 0.286E-02 0.513E-01
RMM: 58 -0.416918770106E+03 -0.35533E-01 -0.48936E-04 10689 0.241E-02 0.428E-01
RMM: 59 -0.416960753772E+03 -0.41984E-01 -0.59435E-04 11098 0.246E-02 0.291E-01
RMM: 60 -0.416999803136E+03 -0.39049E-01 -0.67505E-04 11428 0.250E-02 0.217E-01
RMM: 61 -0.417036843760E+03 -0.37041E-01 -0.10347E-03 12222 0.313E-02 0.153E-01
RMM: 62 -0.417062543646E+03 -0.25700E-01 -0.77460E-04 11891 0.251E-02 0.121E-01
RMM: 63 -0.417070935014E+03 -0.83914E-02 -0.26578E-04 11010 0.147E-02 0.122E-01
RMM: 64 -0.417074963044E+03 -0.40280E-02 -0.17068E-04 9977 0.113E-02 0.123E-01
RMM: 65 -0.417077467156E+03 -0.25041E-02 -0.83527E-05 9081 0.775E-03 0.103E-01
RMM: 66 -0.417077969948E+03 -0.50279E-03 -0.45810E-05 8161 0.624E-03 0.704E-02
RMM: 67 -0.417078819372E+03 -0.84942E-03 -0.34799E-05 7687 0.560E-03 0.556E-02
RMM: 68 -0.417079724288E+03 -0.90492E-03 -0.17312E-05 6928 0.387E-03 0.472E-02
RMM: 69 -0.417080928158E+03 -0.12039E-02 -0.21655E-05 7292 0.390E-03 0.407E-02
RMM: 70 -0.417081778449E+03 -0.85029E-03 -0.16548E-05 7088 0.342E-03 0.395E-02
RMM: 71 -0.417082133119E+03 -0.35467E-03 -0.17889E-05 7043 0.397E-03 0.268E-02
RMM: 72 -0.417082358967E+03 -0.22585E-03 -0.52047E-06 5805 0.201E-03 0.227E-02
RMM: 73 -0.417082415127E+03 -0.56160E-04 -0.51938E-06 6395 0.200E-03 0.210E-02
RMM: 74 -0.417082391442E+03 0.23685E-04 -0.24861E-06 4756 0.142E-03 0.168E-02
RMM: 75 -0.417082413999E+03 -0.22558E-04 -0.22735E-06 5236 0.145E-03 0.183E-02
RMM: 76 -0.417082351152E+03 0.62847E-04 -0.38412E-06 6036 0.172E-03 0.179E-02
RMM: 77 -0.417082405509E+03 -0.54357E-04 -0.32459E-07 3156 0.917E-04 0.131E-02
RMM: 78 -0.417082421866E+03 -0.16357E-04 -0.95120E-07 4172 0.113E-03 0.893E-03
RMM: 79 -0.417082443874E+03 -0.22008E-04 -0.86910E-07 4164 0.111E-03 0.756E-03
RMM: 80 -0.417082507793E+03 -0.63919E-04 -0.79062E-07 3856 0.107E-03 0.645E-03
RMM: 81 -0.417082600634E+03 -0.92842E-04 -0.25078E-06 5222 0.145E-03 0.810E-03
RMM: 82 -0.417082614123E+03 -0.13488E-04 -0.14644E-07 2765 0.818E-04 0.498E-03
RMM: 83 -0.417082650448E+03 -0.36325E-04 -0.20034E-07 2854 0.862E-04 0.383E-03
RMM: 84 -0.417082657010E+03 -0.65617E-05 -0.65240E-07 4036 0.115E-03
1 F= -.45478169E+03 E0= -.45478173E+03 d E =0.142083E-03 mag= -0.0016