iterations/neb1_max2_image03_iter31_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422826306401E+04 0.42283E+04 -0.25388E+05 8992 0.103E+03
DAV: 2 -0.103892170890E+03 -0.43322E+04 -0.39323E+04 11008 0.248E+02
DAV: 3 -0.426898142881E+03 -0.32301E+03 -0.30202E+03 10208 0.657E+01
DAV: 4 -0.435421081812E+03 -0.85229E+01 -0.84207E+01 10808 0.107E+01
DAV: 5 -0.435720067797E+03 -0.29899E+00 -0.29821E+00 11136 0.194E+00 0.995E+01
RMM: 6 -0.388698680878E+03 0.47021E+02 -0.11162E+02 9711 0.146E+01 0.733E+01
RMM: 7 -0.818966627037E+03 -0.43027E+03 -0.46188E+02 11344 0.198E+01 0.155E+02
RMM: 8 -0.497462464851E+03 0.32150E+03 -0.11030E+02 9998 0.111E+01 0.919E+01
RMM: 9 -0.436812130949E+03 0.60650E+02 -0.65894E+01 10182 0.105E+01 0.655E+01
RMM: 10 -0.380129256856E+03 0.56683E+02 -0.37930E+01 10302 0.810E+00 0.324E+01
RMM: 11 -0.390808834892E+03 -0.10680E+02 -0.21349E+01 10553 0.487E+00 0.494E+01
RMM: 12 -0.370677909432E+03 0.20131E+02 -0.55788E+00 9932 0.326E+00 0.245E+01
RMM: 13 -0.370077742673E+03 0.60017E+00 -0.17223E+00 10131 0.191E+00 0.163E+01
RMM: 14 -0.374727923566E+03 -0.46502E+01 -0.17125E+00 10314 0.178E+00 0.133E+01
RMM: 15 -0.382481573643E+03 -0.77537E+01 -0.20776E+00 10628 0.188E+00 0.130E+01
RMM: 16 -0.386900275878E+03 -0.44187E+01 -0.13738E+00 10525 0.148E+00 0.146E+01
RMM: 17 -0.389706383246E+03 -0.28061E+01 -0.11620E+00 10694 0.128E+00 0.127E+01
RMM: 18 -0.392644301066E+03 -0.29379E+01 -0.11248E+00 11039 0.121E+00 0.968E+00
RMM: 19 -0.395967107457E+03 -0.33228E+01 -0.10079E+00 11204 0.116E+00 0.800E+00
RMM: 20 -0.398516851436E+03 -0.25497E+01 -0.37549E-01 10570 0.717E-01 0.755E+00
RMM: 21 -0.399791298173E+03 -0.12744E+01 -0.17745E-01 10532 0.472E-01 0.750E+00
RMM: 22 -0.403170398783E+03 -0.33791E+01 -0.15502E+00 13001 0.120E+00 0.706E+00
RMM: 23 -0.406665296692E+03 -0.34949E+01 -0.16054E+00 13188 0.119E+00 0.647E+00
RMM: 24 -0.409251664356E+03 -0.25864E+01 -0.88458E-01 12364 0.861E-01 0.614E+00
RMM: 25 -0.410521810320E+03 -0.12701E+01 -0.32697E-01 11507 0.531E-01 0.592E+00
RMM: 26 -0.410867480739E+03 -0.34567E+00 -0.28226E-02 10504 0.173E-01 0.592E+00
RMM: 27 -0.410914782400E+03 -0.47302E-01 -0.83034E-03 10831 0.785E-02 0.590E+00
RMM: 28 -0.410738842860E+03 0.17594E+00 -0.11345E-02 10469 0.128E-01 0.579E+00
RMM: 29 -0.410026008600E+03 0.71283E+00 -0.23429E-01 15492 0.565E-01 0.494E+00
RMM: 30 -0.410319679408E+03 -0.29367E+00 -0.85804E-02 14575 0.365E-01 0.519E+00
RMM: 31 -0.410356138259E+03 -0.36459E-01 -0.13945E-02 11241 0.155E-01 0.558E+00
RMM: 32 -0.411412379404E+03 -0.10562E+01 -0.31041E-01 15850 0.671E-01 0.494E+00
RMM: 33 -0.412650364145E+03 -0.12380E+01 -0.64476E-01 16998 0.829E-01 0.547E+00
RMM: 34 -0.414055861309E+03 -0.14055E+01 -0.24529E-01 15800 0.523E-01 0.392E+00
RMM: 35 -0.414405199810E+03 -0.34934E+00 -0.62803E-02 13919 0.285E-01 0.363E+00
RMM: 36 -0.414815015914E+03 -0.40982E+00 -0.47833E-02 13517 0.270E-01 0.361E+00
RMM: 37 -0.415323410408E+03 -0.50839E+00 -0.60681E-02 14054 0.285E-01 0.375E+00
RMM: 38 -0.415364549097E+03 -0.41139E-01 -0.31260E-02 12753 0.210E-01 0.292E+00
RMM: 39 -0.415463793514E+03 -0.99244E-01 -0.23194E-02 12233 0.181E-01 0.228E+00
RMM: 40 -0.415754023959E+03 -0.29023E+00 -0.10470E-02 11087 0.122E-01 0.188E+00
RMM: 41 -0.415989983864E+03 -0.23596E+00 -0.43892E-03 10488 0.788E-02 0.157E+00
RMM: 42 -0.416084687849E+03 -0.94704E-01 -0.63381E-03 11177 0.887E-02 0.136E+00
RMM: 43 -0.416152057053E+03 -0.67369E-01 -0.75419E-03 11588 0.935E-02 0.113E+00
RMM: 44 -0.416246276014E+03 -0.94219E-01 -0.10315E-02 12102 0.107E-01 0.801E-01
RMM: 45 -0.416305823187E+03 -0.59547E-01 -0.18403E-02 12933 0.139E-01 0.836E-01
RMM: 46 -0.416432046721E+03 -0.12622E+00 -0.63882E-03 11545 0.793E-02 0.653E-01
RMM: 47 -0.416553081684E+03 -0.12103E+00 -0.67305E-03 11582 0.842E-02 0.457E-01
RMM: 48 -0.416611702854E+03 -0.58621E-01 -0.57960E-03 11616 0.694E-02 0.433E-01
RMM: 49 -0.416677213216E+03 -0.65510E-01 -0.44218E-03 11367 0.632E-02 0.341E-01
RMM: 50 -0.416756328978E+03 -0.79116E-01 -0.45260E-03 11619 0.628E-02 0.307E-01
RMM: 51 -0.416744097779E+03 0.12231E-01 -0.33632E-03 11268 0.636E-02 0.310E-01
RMM: 52 -0.416784269239E+03 -0.40171E-01 -0.12242E-03 10716 0.372E-02 0.204E-01
RMM: 53 -0.416816813988E+03 -0.32545E-01 -0.83912E-04 10682 0.283E-02 0.135E-01
RMM: 54 -0.416845946006E+03 -0.29132E-01 -0.31732E-04 10485 0.178E-02 0.116E-01
RMM: 55 -0.416884006886E+03 -0.38061E-01 -0.32744E-04 10896 0.170E-02 0.983E-02
RMM: 56 -0.416896296175E+03 -0.12289E-01 -0.22763E-04 10962 0.162E-02 0.607E-02
RMM: 57 -0.416909426417E+03 -0.13130E-01 -0.14958E-04 10131 0.113E-02 0.454E-02
RMM: 58 -0.416914375936E+03 -0.49495E-02 -0.86587E-05 9009 0.850E-03 0.361E-02
RMM: 59 -0.416916704144E+03 -0.23282E-02 -0.58514E-05 8428 0.637E-03 0.296E-02
RMM: 60 -0.416918268219E+03 -0.15641E-02 -0.52462E-05 8270 0.589E-03 0.123E-02
RMM: 61 -0.416918844945E+03 -0.57673E-03 -0.15736E-05 7022 0.366E-03 0.105E-02
RMM: 62 -0.416919389716E+03 -0.54477E-03 -0.12208E-05 6830 0.291E-03 0.714E-03
RMM: 63 -0.416919722168E+03 -0.33245E-03 -0.46067E-06 5274 0.176E-03 0.522E-03
RMM: 64 -0.416919970008E+03 -0.24784E-03 -0.29482E-06 4849 0.149E-03 0.425E-03
RMM: 65 -0.416920151540E+03 -0.18153E-03 -0.28385E-06 5256 0.145E-03 0.581E-03
RMM: 66 -0.416920264170E+03 -0.11263E-03 -0.13659E-06 3705 0.107E-03 0.382E-03
RMM: 67 -0.416920332000E+03 -0.67831E-04 -0.12124E-06 4042 0.112E-03 0.223E-03
RMM: 68 -0.416920359940E+03 -0.27939E-04 -0.89929E-07 4038 0.110E-03 0.104E-02
RMM: 69 -0.416920363769E+03 -0.38292E-05 -0.16285E-07 2711 0.878E-04
1 F= -.45464013E+03 E0= -.45463956E+03 d E =-.169336E-02 mag= -0.0035