iterations/neb1_max2_image03_iter19_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422096261704E+04 0.42210E+04 -0.25380E+05 8992 0.103E+03
DAV: 2 -0.103111430605E+03 -0.43241E+04 -0.39241E+04 11008 0.248E+02
DAV: 3 -0.426526190824E+03 -0.32341E+03 -0.30199E+03 10216 0.656E+01
DAV: 4 -0.435103535557E+03 -0.85773E+01 -0.84703E+01 10768 0.107E+01
DAV: 5 -0.435393428762E+03 -0.28989E+00 -0.28914E+00 11112 0.194E+00 0.975E+01
RMM: 6 -0.389370188234E+03 0.46023E+02 -0.11141E+02 9703 0.146E+01 0.745E+01
RMM: 7 -0.819500286894E+03 -0.43013E+03 -0.43516E+02 11357 0.190E+01 0.151E+02
RMM: 8 -0.488218850994E+03 0.33128E+03 -0.10050E+02 9887 0.107E+01 0.883E+01
RMM: 9 -0.425656445973E+03 0.62562E+02 -0.69317E+01 10221 0.108E+01 0.619E+01
RMM: 10 -0.367062884283E+03 0.58594E+02 -0.33481E+01 10248 0.749E+00 0.234E+01
RMM: 11 -0.370739320035E+03 -0.36764E+01 -0.12957E+01 10283 0.420E+00 0.274E+01
RMM: 12 -0.370123976991E+03 0.61534E+00 -0.36006E+00 10107 0.255E+00 0.189E+01
RMM: 13 -0.371713808276E+03 -0.15898E+01 -0.19463E+00 10100 0.197E+00 0.140E+01
RMM: 14 -0.376306959302E+03 -0.45932E+01 -0.15414E+00 10202 0.162E+00 0.119E+01
RMM: 15 -0.379245196980E+03 -0.29382E+01 -0.91364E-01 10211 0.125E+00 0.926E+00
RMM: 16 -0.387970042268E+03 -0.87248E+01 -0.26294E+00 11745 0.189E+00 0.107E+01
RMM: 17 -0.390000247660E+03 -0.20302E+01 -0.10011E+00 10765 0.125E+00 0.784E+00
RMM: 18 -0.392714287700E+03 -0.27140E+01 -0.48345E-01 10409 0.805E-01 0.748E+00
RMM: 19 -0.395000225266E+03 -0.22859E+01 -0.48606E-01 10998 0.743E-01 0.701E+00
RMM: 20 -0.398855957840E+03 -0.38557E+01 -0.13205E+00 12255 0.114E+00 0.591E+00
RMM: 21 -0.402493376700E+03 -0.36374E+01 -0.97962E-01 12018 0.970E-01 0.470E+00
RMM: 22 -0.407034002518E+03 -0.45406E+01 -0.13619E+00 12613 0.107E+00 0.469E+00
RMM: 23 -0.409891260886E+03 -0.28573E+01 -0.10307E+00 12399 0.914E-01 0.531E+00
RMM: 24 -0.411107391853E+03 -0.12161E+01 -0.45560E-01 11646 0.613E-01 0.501E+00
RMM: 25 -0.411524241830E+03 -0.41685E+00 -0.84189E-02 10646 0.280E-01 0.488E+00
RMM: 26 -0.411222965895E+03 0.30128E+00 -0.67995E-02 10503 0.293E-01 0.467E+00
RMM: 27 -0.411009716567E+03 0.21325E+00 -0.96835E-02 11064 0.398E-01 0.430E+00
RMM: 28 -0.411142095317E+03 -0.13238E+00 -0.23702E-01 12713 0.587E-01 0.556E+00
RMM: 29 -0.410634363722E+03 0.50773E+00 -0.75576E-02 10795 0.359E-01 0.640E+00
RMM: 30 -0.411644313709E+03 -0.10099E+01 -0.94552E-02 10986 0.404E-01 0.508E+00
RMM: 31 -0.412308595193E+03 -0.66428E+00 -0.43062E-01 13416 0.714E-01 0.528E+00
RMM: 32 -0.413255549600E+03 -0.94695E+00 -0.25128E-01 12550 0.486E-01 0.555E+00
RMM: 33 -0.413982297078E+03 -0.72675E+00 -0.13360E-01 11650 0.415E-01 0.413E+00
RMM: 34 -0.414321860863E+03 -0.33956E+00 -0.33819E-02 10381 0.226E-01 0.288E+00
RMM: 35 -0.414345685012E+03 -0.23824E-01 -0.42921E-03 10995 0.680E-02 0.288E+00
RMM: 36 -0.414463378393E+03 -0.11769E+00 -0.58568E-03 10500 0.104E-01 0.254E+00
RMM: 37 -0.414795910946E+03 -0.33253E+00 -0.38876E-02 13531 0.255E-01 0.196E+00
RMM: 38 -0.414871532117E+03 -0.75621E-01 -0.12738E-02 11763 0.146E-01 0.165E+00
RMM: 39 -0.414959162766E+03 -0.87631E-01 -0.69755E-03 10818 0.108E-01 0.136E+00
RMM: 40 -0.415100248242E+03 -0.14109E+00 -0.70644E-03 10937 0.101E-01 0.108E+00
RMM: 41 -0.415265391658E+03 -0.16514E+00 -0.57896E-03 10978 0.874E-02 0.868E-01
RMM: 42 -0.415396739246E+03 -0.13135E+00 -0.69426E-03 11490 0.933E-02 0.669E-01
RMM: 43 -0.415486755301E+03 -0.90016E-01 -0.17322E-02 12814 0.134E-01 0.489E-01
RMM: 44 -0.415589511888E+03 -0.10276E+00 -0.99145E-03 11913 0.937E-02 0.559E-01
RMM: 45 -0.415696813236E+03 -0.10730E+00 -0.98627E-03 11728 0.845E-02 0.504E-01
RMM: 46 -0.415799879247E+03 -0.10307E+00 -0.10634E-02 12054 0.843E-02 0.426E-01
RMM: 47 -0.415865834782E+03 -0.65956E-01 -0.43437E-03 11314 0.576E-02 0.343E-01
RMM: 48 -0.415922416092E+03 -0.56581E-01 -0.27905E-03 11205 0.455E-02 0.259E-01
RMM: 49 -0.415966996506E+03 -0.44580E-01 -0.17277E-03 11215 0.356E-02 0.178E-01
RMM: 50 -0.416007594737E+03 -0.40598E-01 -0.97379E-04 11081 0.282E-02 0.112E-01
RMM: 51 -0.416020152857E+03 -0.12558E-01 -0.50453E-04 10832 0.217E-02 0.843E-02
RMM: 52 -0.416054048319E+03 -0.33895E-01 -0.30186E-04 10858 0.167E-02 0.509E-02
RMM: 53 -0.416062681923E+03 -0.86336E-02 -0.83602E-05 8997 0.858E-03 0.451E-02
RMM: 54 -0.416067165846E+03 -0.44839E-02 -0.35886E-05 7963 0.602E-03 0.442E-02
RMM: 55 -0.416071015222E+03 -0.38494E-02 -0.42042E-05 8076 0.601E-03 0.365E-02
RMM: 56 -0.416070899391E+03 0.11583E-03 -0.26316E-05 7158 0.588E-03 0.234E-02
RMM: 57 -0.416073127329E+03 -0.22279E-02 -0.20449E-05 7117 0.425E-03 0.130E-02
RMM: 58 -0.416073877994E+03 -0.75067E-03 -0.73642E-06 6542 0.258E-03 0.120E-02
RMM: 59 -0.416074364358E+03 -0.48636E-03 -0.52377E-06 5722 0.189E-03 0.102E-02
RMM: 60 -0.416074614648E+03 -0.25029E-03 -0.51461E-06 6473 0.204E-03 0.256E-02
RMM: 61 -0.416074604876E+03 0.97713E-05 -0.72372E-07 3827 0.110E-03
1 F= -.45378335E+03 E0= -.45378272E+03 d E =-.188490E-02 mag= -0.0112