iterations/neb1_max2_image05_iter19_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422458572631E+04 0.42246E+04 -0.25388E+05 9000 0.103E+03
DAV: 2 -0.104489253698E+03 -0.43291E+04 -0.39285E+04 11024 0.248E+02
DAV: 3 -0.426292055863E+03 -0.32180E+03 -0.30148E+03 10224 0.656E+01
DAV: 4 -0.434812193102E+03 -0.85201E+01 -0.84104E+01 10920 0.107E+01
DAV: 5 -0.435102473263E+03 -0.29028E+00 -0.28947E+00 10960 0.194E+00 0.988E+01
RMM: 6 -0.377630619344E+03 0.57472E+02 -0.11555E+02 9692 0.146E+01 0.679E+01
RMM: 7 -0.536063371386E+03 -0.15843E+03 -0.19123E+02 10161 0.158E+01 0.966E+01
RMM: 8 -0.474723329012E+03 0.61340E+02 -0.90962E+01 10196 0.114E+01 0.758E+01
RMM: 9 -0.424872202641E+03 0.49851E+02 -0.41848E+01 10150 0.756E+00 0.586E+01
RMM: 10 -0.404196029972E+03 0.20676E+02 -0.46199E+01 10461 0.828E+00 0.481E+01
RMM: 11 -0.380417011029E+03 0.23779E+02 -0.79410E+00 9606 0.405E+00 0.316E+01
RMM: 12 -0.375695057553E+03 0.47220E+01 -0.56162E+00 10174 0.306E+00 0.249E+01
RMM: 13 -0.374202977441E+03 0.14921E+01 -0.30828E+00 10282 0.219E+00 0.151E+01
RMM: 14 -0.376338596393E+03 -0.21356E+01 -0.14309E+00 10239 0.143E+00 0.125E+01
RMM: 15 -0.380809618262E+03 -0.44710E+01 -0.95287E-01 10346 0.125E+00 0.116E+01
RMM: 16 -0.386810178942E+03 -0.60006E+01 -0.25522E+00 11549 0.190E+00 0.114E+01
RMM: 17 -0.392123024099E+03 -0.53128E+01 -0.18857E+00 11319 0.163E+00 0.989E+00
RMM: 18 -0.393489231026E+03 -0.13662E+01 -0.51918E-01 10318 0.920E-01 0.836E+00
RMM: 19 -0.396706829289E+03 -0.32176E+01 -0.89005E-01 11289 0.103E+00 0.710E+00
RMM: 20 -0.398797720259E+03 -0.20909E+01 -0.34538E-01 10733 0.649E-01 0.629E+00
RMM: 21 -0.399303339752E+03 -0.50562E+00 -0.48919E-02 10417 0.235E-01 0.618E+00
RMM: 22 -0.400889029453E+03 -0.15857E+01 -0.33466E-01 12022 0.599E-01 0.586E+00
RMM: 23 -0.404172386672E+03 -0.32834E+01 -0.13007E+00 14086 0.114E+00 0.526E+00
RMM: 24 -0.407742394171E+03 -0.35700E+01 -0.12476E+00 14152 0.106E+00 0.535E+00
RMM: 25 -0.410315542332E+03 -0.25731E+01 -0.86261E-01 13783 0.868E-01 0.558E+00
RMM: 26 -0.411568224627E+03 -0.12527E+01 -0.33806E-01 12308 0.550E-01 0.552E+00
RMM: 27 -0.411803634439E+03 -0.23541E+00 -0.11810E-02 10253 0.133E-01 0.541E+00
RMM: 28 -0.411415071459E+03 0.38856E+00 -0.69150E-02 11758 0.312E-01 0.512E+00
RMM: 29 -0.411410994843E+03 0.40766E-02 -0.31073E-02 10827 0.226E-01 0.503E+00
RMM: 30 -0.411056470316E+03 0.35452E+00 -0.10010E-01 12563 0.410E-01 0.560E+00
RMM: 31 -0.411319073121E+03 -0.26260E+00 -0.14483E-02 10175 0.170E-01 0.528E+00
RMM: 32 -0.412697725594E+03 -0.13787E+01 -0.73041E-01 15720 0.912E-01 0.589E+00
RMM: 33 -0.413152723153E+03 -0.45500E+00 -0.49732E-01 15787 0.761E-01 0.386E+00
RMM: 34 -0.413897523983E+03 -0.74480E+00 -0.49715E-02 12138 0.259E-01 0.311E+00
RMM: 35 -0.414016934694E+03 -0.11941E+00 -0.17794E-02 10585 0.185E-01 0.287E+00
RMM: 36 -0.414357556083E+03 -0.34062E+00 -0.25736E-02 11049 0.219E-01 0.264E+00
RMM: 37 -0.414768276001E+03 -0.41072E+00 -0.42662E-02 11575 0.250E-01 0.140E+00
RMM: 38 -0.415361342932E+03 -0.59307E+00 -0.28793E-02 11294 0.198E-01 0.107E+00
RMM: 39 -0.415860030926E+03 -0.49869E+00 -0.26760E-02 11210 0.178E-01 0.858E-01
RMM: 40 -0.415989722940E+03 -0.12969E+00 -0.17606E-02 11030 0.131E-01 0.839E-01
RMM: 41 -0.416061359302E+03 -0.71636E-01 -0.93471E-03 10893 0.957E-02 0.749E-01
RMM: 42 -0.416171911530E+03 -0.11055E+00 -0.10166E-02 11352 0.943E-02 0.647E-01
RMM: 43 -0.416290999966E+03 -0.11909E+00 -0.11929E-02 11722 0.976E-02 0.572E-01
RMM: 44 -0.416359025182E+03 -0.68025E-01 -0.13900E-02 12042 0.106E-01 0.516E-01
RMM: 45 -0.416427725971E+03 -0.68701E-01 -0.86220E-03 11709 0.847E-02 0.367E-01
RMM: 46 -0.416495006884E+03 -0.67281E-01 -0.21210E-03 10814 0.497E-02 0.294E-01
RMM: 47 -0.416547398422E+03 -0.52392E-01 -0.22957E-03 11109 0.460E-02 0.260E-01
RMM: 48 -0.416660421303E+03 -0.11302E+00 -0.34095E-03 11730 0.449E-02 0.187E-01
RMM: 49 -0.416716561455E+03 -0.56140E-01 -0.60793E-04 10701 0.238E-02 0.126E-01
RMM: 50 -0.416743833976E+03 -0.27273E-01 -0.26485E-04 10463 0.169E-02 0.790E-02
RMM: 51 -0.416749914937E+03 -0.60810E-02 -0.13442E-04 10366 0.130E-02 0.819E-02
RMM: 52 -0.416756855328E+03 -0.69404E-02 -0.97361E-05 9534 0.102E-02 0.544E-02
RMM: 53 -0.416760518399E+03 -0.36631E-02 -0.55816E-05 8643 0.694E-03 0.303E-02
RMM: 54 -0.416762712093E+03 -0.21937E-02 -0.37136E-05 8043 0.568E-03 0.239E-02
RMM: 55 -0.416764166591E+03 -0.14545E-02 -0.26833E-05 7626 0.466E-03 0.232E-02
RMM: 56 -0.416764917360E+03 -0.75077E-03 -0.14154E-05 6879 0.358E-03 0.126E-02
RMM: 57 -0.416765676531E+03 -0.75917E-03 -0.85147E-06 6747 0.255E-03 0.762E-03
RMM: 58 -0.416766104383E+03 -0.42785E-03 -0.35830E-06 5425 0.170E-03 0.934E-03
RMM: 59 -0.416766449805E+03 -0.34542E-03 -0.24501E-06 5008 0.144E-03 0.815E-03
RMM: 60 -0.416766691926E+03 -0.24212E-03 -0.31474E-06 5419 0.148E-03 0.153E-02
RMM: 61 -0.416766688655E+03 0.32711E-05 -0.74980E-07 3787 0.106E-03
1 F= -.45448435E+03 E0= -.45448411E+03 d E =-.744885E-03 mag= -0.0085