iterations/neb0_image04_iter4_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 0.209349089874E+04 0.20935E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.138982763907E+03 -0.22325E+04 -0.21417E+04 2144 0.262E+02
DAV: 3 -0.464437467355E+03 -0.32545E+03 -0.32182E+03 1880 0.108E+02
DAV: 4 -0.476837591306E+03 -0.12400E+02 -0.12350E+02 1936 0.224E+01
DAV: 5 -0.477330791715E+03 -0.49320E+00 -0.49290E+00 2172 0.387E+00 0.433E+01
DAV: 6 -0.446610888225E+03 0.30720E+02 -0.14681E+02 2040 0.317E+01 0.333E+01
DAV: 7 -0.449880386448E+03 -0.32695E+01 -0.86069E+01 1864 0.155E+01 0.185E+01
DAV: 8 -0.443843306525E+03 0.60371E+01 -0.83000E+00 2016 0.106E+01 0.112E+01
DAV: 9 -0.452397682907E+03 -0.85544E+01 -0.56575E+01 2192 0.144E+01 0.360E+01
DAV: 10 -0.444173022399E+03 0.82247E+01 -0.19701E+01 1776 0.446E+00 0.105E+01
DAV: 11 -0.444010293295E+03 0.16273E+00 -0.68136E+00 2016 0.223E+00 0.133E+01
DAV: 12 -0.443431866150E+03 0.57843E+00 -0.38221E+00 1960 0.123E+00 0.759E+00
DAV: 13 -0.443045217412E+03 0.38665E+00 -0.62259E-01 2048 0.174E+00 0.591E+00
DAV: 14 -0.443172452423E+03 -0.12724E+00 -0.58865E+00 2144 0.294E+00 0.807E+00
DAV: 15 -0.442701914948E+03 0.47054E+00 -0.26684E+00 1880 0.153E+00 0.430E+00
DAV: 16 -0.442733257860E+03 -0.31343E-01 -0.74706E-01 2064 0.107E+00 0.237E+00
DAV: 17 -0.442789417742E+03 -0.56160E-01 -0.23310E-01 1872 0.556E-01 0.310E+00
DAV: 18 -0.442732914227E+03 0.56504E-01 -0.10857E-01 2056 0.378E-01 0.936E-01
DAV: 19 -0.442746822089E+03 -0.13908E-01 -0.29922E-02 2080 0.382E-01 0.987E-01
DAV: 20 -0.442747671199E+03 -0.84911E-03 -0.37451E-02 1984 0.221E-01 0.464E-01
DAV: 21 -0.442754395338E+03 -0.67241E-02 -0.35744E-03 1936 0.115E-01 0.200E-01
DAV: 22 -0.442755468171E+03 -0.10728E-02 -0.26179E-03 1976 0.719E-02 0.121E-01
DAV: 23 -0.442757910600E+03 -0.24424E-02 -0.41829E-03 1856 0.641E-02 0.306E-01
DAV: 24 -0.442759177251E+03 -0.12667E-02 -0.28149E-03 1944 0.599E-02 0.119E-01
DAV: 25 -0.442760457100E+03 -0.12798E-02 -0.39781E-04 1816 0.317E-02 0.423E-02
DAV: 26 -0.442761365578E+03 -0.90848E-03 -0.29646E-04 1816 0.370E-02 0.515E-02
DAV: 27 -0.442761859781E+03 -0.49420E-03 -0.38401E-04 1752 0.220E-02 0.104E-01
DAV: 28 -0.442762150555E+03 -0.29077E-03 -0.16939E-04 1832 0.289E-02 0.554E-02
DAV: 29 -0.442762321927E+03 -0.17137E-03 -0.35337E-05 1408 0.130E-02 0.443E-02
DAV: 30 -0.442762374485E+03 -0.52558E-04 -0.35682E-05 1136 0.111E-02 0.176E-02
DAV: 31 -0.442762398648E+03 -0.24163E-04 -0.11703E-05 936 0.693E-03 0.142E-02
DAV: 32 -0.442762442030E+03 -0.43381E-04 -0.78948E-06 1072 0.557E-03 0.651E-03
DAV: 33 -0.442762458394E+03 -0.16364E-04 -0.17606E-06 928 0.320E-03 0.493E-03
DAV: 34 -0.442762470275E+03 -0.11881E-04 -0.21010E-06 952 0.365E-03 0.467E-03
DAV: 35 -0.442762479608E+03 -0.93329E-05 -0.31324E-06 928 0.295E-03
1 F= -.44276248E+03 E0= -.44274629E+03 d E =-.485622E-01