iterations/neb1_max1_image01_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422097108099E+04 0.42210E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.105679348128E+03 -0.43267E+04 -0.39275E+04 11032 0.248E+02
DAV: 3 -0.426466913737E+03 -0.32079E+03 -0.30040E+03 10288 0.655E+01
DAV: 4 -0.434940315949E+03 -0.84734E+01 -0.83154E+01 10896 0.106E+01
DAV: 5 -0.435229902310E+03 -0.28959E+00 -0.28887E+00 11136 0.192E+00 0.101E+02
RMM: 6 -0.389467362637E+03 0.45763E+02 -0.10708E+02 9705 0.142E+01 0.733E+01
RMM: 7 -0.841545999859E+03 -0.45208E+03 -0.48284E+02 11484 0.198E+01 0.154E+02
RMM: 8 -0.497807673021E+03 0.34374E+03 -0.12034E+02 9992 0.115E+01 0.922E+01
RMM: 9 -0.417883011989E+03 0.79925E+02 -0.67375E+01 10162 0.106E+01 0.581E+01
RMM: 10 -0.399559194112E+03 0.18324E+02 -0.43512E+01 10390 0.866E+00 0.494E+01
RMM: 11 -0.379306418069E+03 0.20253E+02 -0.21498E+01 10254 0.549E+00 0.382E+01
RMM: 12 -0.372012338679E+03 0.72941E+01 -0.74788E+00 10007 0.375E+00 0.231E+01
RMM: 13 -0.373304635064E+03 -0.12923E+01 -0.35111E+00 10171 0.250E+00 0.174E+01
RMM: 14 -0.374235533896E+03 -0.93090E+00 -0.13532E+00 10183 0.155E+00 0.128E+01
RMM: 15 -0.380880298935E+03 -0.66448E+01 -0.17772E+00 10545 0.173E+00 0.133E+01
RMM: 16 -0.385547256834E+03 -0.46670E+01 -0.17904E+00 10729 0.169E+00 0.124E+01
RMM: 17 -0.390515244174E+03 -0.49680E+01 -0.17530E+00 10972 0.155E+00 0.134E+01
RMM: 18 -0.388463525922E+03 0.20517E+01 -0.21653E-01 10051 0.607E-01 0.689E+00
RMM: 19 -0.394249988932E+03 -0.57865E+01 -0.61322E-01 11397 0.884E-01 0.127E+01
RMM: 20 -0.395006509158E+03 -0.75652E+00 -0.81838E-01 11878 0.101E+00 0.103E+01
RMM: 21 -0.399050258687E+03 -0.40437E+01 -0.11817E+00 12525 0.111E+00 0.716E+00
RMM: 22 -0.402568832995E+03 -0.35186E+01 -0.54003E-01 11767 0.763E-01 0.626E+00
RMM: 23 -0.406786625362E+03 -0.42178E+01 -0.13040E+00 12844 0.105E+00 0.559E+00
RMM: 24 -0.408801076433E+03 -0.20145E+01 -0.33169E-01 11559 0.558E-01 0.520E+00
RMM: 25 -0.409965495451E+03 -0.11644E+01 -0.21092E-01 11332 0.424E-01 0.452E+00
RMM: 26 -0.411043968749E+03 -0.10785E+01 -0.13396E-01 11319 0.343E-01 0.482E+00
RMM: 27 -0.411147216094E+03 -0.10325E+00 -0.14944E-02 10564 0.123E-01 0.486E+00
RMM: 28 -0.410468337614E+03 0.67888E+00 -0.69213E-02 11823 0.292E-01 0.451E+00
RMM: 29 -0.409566593155E+03 0.90174E+00 -0.22784E-01 13651 0.533E-01 0.457E+00
RMM: 30 -0.408912772310E+03 0.65382E+00 -0.13871E-01 13095 0.461E-01 0.570E+00
RMM: 31 -0.410555060150E+03 -0.16423E+01 -0.37239E-01 14082 0.688E-01 0.526E+00
RMM: 32 -0.412792893807E+03 -0.22378E+01 -0.15891E+00 16307 0.114E+00 0.636E+00
RMM: 33 -0.414607014324E+03 -0.18141E+01 -0.39087E-01 14912 0.592E-01 0.487E+00
RMM: 34 -0.415309404249E+03 -0.70239E+00 -0.11020E-01 12750 0.340E-01 0.361E+00
RMM: 35 -0.415522567672E+03 -0.21316E+00 -0.11135E-02 10427 0.140E-01 0.328E+00
RMM: 36 -0.416005692642E+03 -0.48312E+00 -0.44702E-02 12145 0.271E-01 0.279E+00
RMM: 37 -0.416347019053E+03 -0.34133E+00 -0.37942E-02 12014 0.227E-01 0.245E+00
RMM: 38 -0.416396527167E+03 -0.49508E-01 -0.12770E-02 10709 0.139E-01 0.214E+00
RMM: 39 -0.416463574971E+03 -0.67048E-01 -0.11825E-02 10764 0.130E-01 0.165E+00
RMM: 40 -0.416598037447E+03 -0.13446E+00 -0.10305E-02 10860 0.118E-01 0.126E+00
RMM: 41 -0.416720591964E+03 -0.12255E+00 -0.55652E-03 10623 0.870E-02 0.124E+00
RMM: 42 -0.416802399267E+03 -0.81807E-01 -0.11204E-02 11799 0.113E-01 0.106E+00
RMM: 43 -0.416879865395E+03 -0.77466E-01 -0.10704E-02 11889 0.110E-01 0.770E-01
RMM: 44 -0.416984865534E+03 -0.10500E+00 -0.55513E-03 11142 0.797E-02 0.562E-01
RMM: 45 -0.417094977426E+03 -0.11011E+00 -0.53895E-03 11192 0.734E-02 0.461E-01
RMM: 46 -0.417134583512E+03 -0.39606E-01 -0.37934E-03 11111 0.617E-02 0.515E-01
RMM: 47 -0.417173671035E+03 -0.39088E-01 -0.48837E-03 11634 0.649E-02 0.548E-01
RMM: 48 -0.417216738211E+03 -0.43067E-01 -0.29771E-03 11271 0.525E-02 0.386E-01
RMM: 49 -0.417288813414E+03 -0.72075E-01 -0.34156E-03 11633 0.511E-02 0.260E-01
RMM: 50 -0.417334097473E+03 -0.45284E-01 -0.26338E-03 11523 0.451E-02 0.199E-01
RMM: 51 -0.417365540755E+03 -0.31443E-01 -0.28863E-03 12061 0.456E-02 0.241E-01
RMM: 52 -0.417393610035E+03 -0.28069E-01 -0.10636E-03 11205 0.303E-02 0.214E-01
RMM: 53 -0.417423802226E+03 -0.30192E-01 -0.60847E-04 11007 0.218E-02 0.152E-01
RMM: 54 -0.417481345779E+03 -0.57544E-01 -0.12203E-03 12003 0.301E-02 0.948E-02
RMM: 55 -0.417499653022E+03 -0.18307E-01 -0.19951E-04 10333 0.134E-02 0.102E-01
RMM: 56 -0.417506241247E+03 -0.65882E-02 -0.27706E-04 11057 0.169E-02 0.770E-02
RMM: 57 -0.417512792858E+03 -0.65516E-02 -0.89174E-05 9759 0.102E-02 0.440E-02
RMM: 58 -0.417516536779E+03 -0.37439E-02 -0.10267E-04 9667 0.940E-03 0.481E-02
RMM: 59 -0.417517497289E+03 -0.96051E-03 -0.38112E-05 8048 0.587E-03 0.306E-02
RMM: 60 -0.417517810538E+03 -0.31325E-03 -0.26226E-05 7406 0.476E-03 0.193E-02
RMM: 61 -0.417518393475E+03 -0.58294E-03 -0.18321E-05 7140 0.338E-03 0.137E-02
RMM: 62 -0.417518607673E+03 -0.21420E-03 -0.75268E-06 6268 0.217E-03 0.149E-02
RMM: 63 -0.417518749104E+03 -0.14143E-03 -0.56006E-06 5724 0.186E-03 0.167E-02
RMM: 64 -0.417518739571E+03 0.95336E-05 -0.31136E-06 5484 0.162E-03
1 F= -.45518413E+03 E0= -.45518482E+03 d E =0.206737E-02 mag= 0.0065