iterations/neb0_image09_iter25_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 0.209651624281E+04 0.20965E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142681687027E+03 -0.22392E+04 -0.21497E+04 2160 0.262E+02
DAV: 3 -0.466444253767E+03 -0.32376E+03 -0.32041E+03 1840 0.108E+02
DAV: 4 -0.479215118819E+03 -0.12771E+02 -0.12723E+02 1976 0.227E+01
DAV: 5 -0.479668758052E+03 -0.45364E+00 -0.45343E+00 2144 0.376E+00 0.427E+01
DAV: 6 -0.447113422160E+03 0.32555E+02 -0.14309E+02 2016 0.310E+01 0.271E+01
DAV: 7 -0.448946109325E+03 -0.18327E+01 -0.73214E+01 1888 0.111E+01 0.136E+01
DAV: 8 -0.446264903476E+03 0.26812E+01 -0.80727E+00 2448 0.797E+00 0.900E+00
DAV: 9 -0.446840702927E+03 -0.57580E+00 -0.17427E+01 1992 0.409E+00 0.510E+00
DAV: 10 -0.445919153550E+03 0.92155E+00 -0.78295E-01 2288 0.398E+00 0.274E+00
DAV: 11 -0.446008007951E+03 -0.88854E-01 -0.17277E+00 1904 0.155E+00 0.364E+00
DAV: 12 -0.445962461560E+03 0.45546E-01 -0.19870E+00 1952 0.118E+00 0.339E+00
DAV: 13 -0.445980633952E+03 -0.18172E-01 -0.16993E+00 2216 0.941E-01 0.348E+00
DAV: 14 -0.445897049932E+03 0.83584E-01 -0.36730E-01 1984 0.668E-01 0.337E-01
DAV: 15 -0.445906178571E+03 -0.91286E-02 -0.20500E-02 1968 0.279E-01 0.460E-01
DAV: 16 -0.445906782916E+03 -0.60435E-03 -0.33966E-03 1864 0.129E-01 0.268E-01
DAV: 17 -0.445908660144E+03 -0.18772E-02 -0.14683E-03 1928 0.857E-02 0.215E-01
DAV: 18 -0.445911518531E+03 -0.28584E-02 -0.45422E-03 2080 0.779E-02 0.363E-01
DAV: 19 -0.445913832582E+03 -0.23141E-02 -0.53888E-03 2096 0.121E-01 0.289E-01
DAV: 20 -0.445915294916E+03 -0.14623E-02 -0.10965E-03 1872 0.626E-02 0.532E-02
DAV: 21 -0.445916282636E+03 -0.98772E-03 -0.34681E-04 1824 0.414E-02 0.807E-02
DAV: 22 -0.445916762952E+03 -0.48032E-03 -0.33446E-04 1928 0.414E-02 0.570E-02
DAV: 23 -0.445917003418E+03 -0.24047E-03 -0.50033E-05 1672 0.180E-02 0.645E-02
DAV: 24 -0.445917128474E+03 -0.12506E-03 -0.55723E-05 1752 0.188E-02 0.426E-02
DAV: 25 -0.445917244640E+03 -0.11617E-03 -0.27222E-05 1256 0.111E-02 0.147E-02
DAV: 26 -0.445917359143E+03 -0.11450E-03 -0.10438E-05 1160 0.689E-03 0.471E-03
DAV: 27 -0.445917386605E+03 -0.27462E-04 -0.20545E-06 944 0.380E-03 0.386E-03
DAV: 28 -0.445917416536E+03 -0.29931E-04 -0.19548E-06 1040 0.390E-03 0.375E-03
DAV: 29 -0.445917430587E+03 -0.14051E-04 -0.10313E-06 952 0.203E-03 0.643E-03
DAV: 30 -0.445917434451E+03 -0.38639E-05 -0.29672E-07 936 0.179E-03
1 F= -.44591743E+03 E0= -.44589093E+03 d E =-.795277E-01