iterations/neb0_image08_iter73_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 0.210341903838E+04 0.21034E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.142251330688E+03 -0.22457E+04 -0.21551E+04 2176 0.262E+02
DAV: 3 -0.466330612454E+03 -0.32408E+03 -0.32081E+03 1824 0.108E+02
DAV: 4 -0.479089952962E+03 -0.12759E+02 -0.12710E+02 2000 0.227E+01
DAV: 5 -0.479541577985E+03 -0.45163E+00 -0.45140E+00 2096 0.378E+00 0.428E+01
DAV: 6 -0.447483997121E+03 0.32058E+02 -0.14371E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.448591314961E+03 -0.11073E+01 -0.64429E+01 1848 0.109E+01 0.137E+01
DAV: 8 -0.446698131005E+03 0.18932E+01 -0.84902E+00 2472 0.799E+00 0.100E+01
DAV: 9 -0.446685819077E+03 0.12312E-01 -0.18020E+01 2040 0.452E+00 0.555E+00
DAV: 10 -0.445913606515E+03 0.77221E+00 -0.85892E-01 2200 0.433E+00 0.439E+00
DAV: 11 -0.445921250057E+03 -0.76435E-02 -0.25649E+00 1904 0.188E+00 0.421E+00
DAV: 12 -0.445827933715E+03 0.93316E-01 -0.16174E+00 2024 0.113E+00 0.251E+00
DAV: 13 -0.445861273739E+03 -0.33340E-01 -0.10230E+00 2032 0.750E-01 0.313E+00
DAV: 14 -0.445801109081E+03 0.60165E-01 -0.39988E-01 1984 0.676E-01 0.526E-01
DAV: 15 -0.445811547637E+03 -0.10439E-01 -0.16699E-02 1992 0.282E-01 0.669E-01
DAV: 16 -0.445810282834E+03 0.12648E-02 -0.53659E-03 1928 0.136E-01 0.248E-01
DAV: 17 -0.445812108295E+03 -0.18255E-02 -0.22457E-03 1936 0.968E-02 0.782E-02
DAV: 18 -0.445814532096E+03 -0.24238E-02 -0.47952E-04 1888 0.579E-02 0.161E-01
DAV: 19 -0.445816917969E+03 -0.23859E-02 -0.65860E-04 2120 0.741E-02 0.189E-01
DAV: 20 -0.445818257740E+03 -0.13398E-02 -0.77511E-04 2048 0.683E-02 0.115E-01
DAV: 21 -0.445819071171E+03 -0.81343E-03 -0.25138E-04 1808 0.371E-02 0.487E-02
DAV: 22 -0.445819815133E+03 -0.74396E-03 -0.27006E-04 1824 0.389E-02 0.901E-02
DAV: 23 -0.445819965949E+03 -0.15082E-03 -0.15755E-04 1832 0.269E-02 0.811E-02
DAV: 24 -0.445820066139E+03 -0.10019E-03 -0.78077E-05 1680 0.236E-02 0.208E-02
DAV: 25 -0.445820119385E+03 -0.53246E-04 -0.21323E-05 1280 0.109E-02 0.113E-02
DAV: 26 -0.445820182120E+03 -0.62735E-04 -0.53837E-06 1088 0.636E-03 0.124E-02
DAV: 27 -0.445820216184E+03 -0.34064E-04 -0.42939E-06 976 0.569E-03 0.446E-03
DAV: 28 -0.445820242314E+03 -0.26130E-04 -0.19481E-06 1016 0.316E-03 0.106E-03
DAV: 29 -0.445820255963E+03 -0.13649E-04 -0.87032E-07 944 0.195E-03 0.216E-03
DAV: 30 -0.445820262350E+03 -0.63872E-05 -0.53305E-07 944 0.208E-03
1 F= -.44582026E+03 E0= -.44579361E+03 d E =-.799448E-01