iterations/neb0_image04_iter68_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209172988539E+04 0.20917E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.138353471823E+03 -0.22301E+04 -0.21406E+04 2128 0.262E+02
DAV: 3 -0.464520897871E+03 -0.32617E+03 -0.32160E+03 1864 0.107E+02
DAV: 4 -0.477398454054E+03 -0.12878E+02 -0.12827E+02 1968 0.227E+01
DAV: 5 -0.477864163748E+03 -0.46571E+00 -0.46545E+00 2152 0.376E+00 0.430E+01
DAV: 6 -0.449074096002E+03 0.28790E+02 -0.14907E+02 2040 0.319E+01 0.374E+01
DAV: 7 -0.453166462050E+03 -0.40924E+01 -0.23065E+02 1920 0.154E+01 0.205E+01
DAV: 8 -0.447062341144E+03 0.61041E+01 -0.94334E+00 1800 0.906E+00 0.125E+01
DAV: 9 -0.446021627518E+03 0.10407E+01 -0.21815E+01 1936 0.123E+01 0.108E+01
DAV: 10 -0.445313058766E+03 0.70857E+00 -0.33129E+00 1896 0.370E+00 0.878E+00
DAV: 11 -0.444819779155E+03 0.49328E+00 -0.66299E+00 2144 0.433E+00 0.756E+00
DAV: 12 -0.444958925737E+03 -0.13915E+00 -0.64741E+00 2152 0.350E+00 0.510E+00
DAV: 13 -0.444584241206E+03 0.37468E+00 -0.29372E-01 1928 0.140E+00 0.356E+00
DAV: 14 -0.444507769403E+03 0.76472E-01 -0.15347E+00 2088 0.145E+00 0.245E+00
DAV: 15 -0.444500034754E+03 0.77346E-02 -0.11114E-01 1872 0.654E-01 0.925E-01
DAV: 16 -0.444527353216E+03 -0.27318E-01 -0.41178E-02 1920 0.284E-01 0.233E+00
DAV: 17 -0.444494694564E+03 0.32659E-01 -0.27331E-02 1952 0.287E-01 0.938E-01
DAV: 18 -0.444497207806E+03 -0.25132E-02 -0.11311E-02 2064 0.204E-01 0.426E-01
DAV: 19 -0.444500228693E+03 -0.30209E-02 -0.57508E-03 2264 0.147E-01 0.222E-01
DAV: 20 -0.444505054808E+03 -0.48261E-02 -0.67427E-03 2056 0.162E-01 0.654E-01
DAV: 21 -0.444503205139E+03 0.18497E-02 -0.24381E-03 1960 0.116E-01 0.308E-01
DAV: 22 -0.444505094263E+03 -0.18891E-02 -0.23652E-03 1920 0.896E-02 0.841E-02
DAV: 23 -0.444507283631E+03 -0.21894E-02 -0.62444E-04 2072 0.536E-02 0.226E-01
DAV: 24 -0.444507978117E+03 -0.69449E-03 -0.55835E-04 1904 0.498E-02 0.170E-01
DAV: 25 -0.444508598858E+03 -0.62074E-03 -0.22354E-04 1904 0.288E-02 0.729E-02
DAV: 26 -0.444509075352E+03 -0.47649E-03 -0.98578E-05 1696 0.216E-02 0.149E-01
DAV: 27 -0.444509675739E+03 -0.60039E-03 -0.38461E-04 1920 0.470E-02 0.507E-02
DAV: 28 -0.444509900972E+03 -0.22523E-03 -0.88806E-05 1752 0.203E-02 0.270E-02
DAV: 29 -0.444509951480E+03 -0.50508E-04 -0.16735E-05 1304 0.921E-03 0.131E-02
DAV: 30 -0.444510016046E+03 -0.64566E-04 -0.13979E-05 1264 0.992E-03 0.100E-02
DAV: 31 -0.444510050142E+03 -0.34096E-04 -0.10616E-05 1120 0.795E-03 0.675E-03
DAV: 32 -0.444510076656E+03 -0.26514E-04 -0.43397E-06 1032 0.436E-03 0.783E-03
DAV: 33 -0.444510084757E+03 -0.81008E-05 -0.15623E-06 936 0.433E-03
1 F= -.44451008E+03 E0= -.44450772E+03 d E =-.710653E-02