iterations/neb0_image07_iter64_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 0.210108109880E+04 0.21011E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139656117781E+03 -0.22407E+04 -0.21519E+04 2152 0.262E+02
DAV: 3 -0.464976247237E+03 -0.32532E+03 -0.32088E+03 1864 0.107E+02
DAV: 4 -0.477778387033E+03 -0.12802E+02 -0.12755E+02 1960 0.228E+01
DAV: 5 -0.478253328913E+03 -0.47494E+00 -0.47471E+00 2128 0.381E+00 0.428E+01
DAV: 6 -0.448480552963E+03 0.29773E+02 -0.14732E+02 2040 0.315E+01 0.270E+01
DAV: 7 -0.446004207192E+03 0.24763E+01 -0.24619E+01 1888 0.115E+01 0.124E+01
DAV: 8 -0.446519854461E+03 -0.51565E+00 -0.11461E+01 2104 0.616E+00 0.816E+00
DAV: 9 -0.445778751914E+03 0.74110E+00 -0.67751E+00 2136 0.443E+00 0.769E+00
DAV: 10 -0.446088511315E+03 -0.30976E+00 -0.75507E+00 2480 0.480E+00 0.511E+00
DAV: 11 -0.445703653433E+03 0.38486E+00 -0.43576E-01 1904 0.193E+00 0.457E+00
DAV: 12 -0.445425361461E+03 0.27829E+00 -0.16643E+00 2240 0.184E+00 0.104E+00
DAV: 13 -0.445449955239E+03 -0.24594E-01 -0.10689E-01 1864 0.744E-01 0.808E-01
DAV: 14 -0.445459709933E+03 -0.97547E-02 -0.20752E-02 1960 0.363E-01 0.152E+00
DAV: 15 -0.445451332017E+03 0.83779E-02 -0.18484E-02 1928 0.320E-01 0.663E-01
DAV: 16 -0.445468165496E+03 -0.16833E-01 -0.42853E-02 2176 0.524E-01 0.135E+00
DAV: 17 -0.445453981920E+03 0.14184E-01 -0.98744E-03 1904 0.291E-01 0.548E-01
DAV: 18 -0.445454126452E+03 -0.14453E-03 -0.50442E-03 1936 0.137E-01 0.314E-01
DAV: 19 -0.445454578993E+03 -0.45254E-03 -0.47898E-04 2224 0.552E-02 0.196E-01
DAV: 20 -0.445457029674E+03 -0.24507E-02 -0.95558E-04 1888 0.724E-02 0.535E-02
DAV: 21 -0.445458923770E+03 -0.18941E-02 -0.99498E-04 2088 0.742E-02 0.203E-01
DAV: 22 -0.445458827784E+03 0.95986E-04 -0.10534E-04 1784 0.240E-02 0.175E-01
DAV: 23 -0.445459160150E+03 -0.33237E-03 -0.21233E-05 1192 0.129E-02 0.221E-01
DAV: 24 -0.445460567119E+03 -0.14070E-02 -0.64145E-04 2104 0.769E-02 0.684E-02
DAV: 25 -0.445461146466E+03 -0.57935E-03 -0.35209E-04 1896 0.433E-02 0.632E-02
DAV: 26 -0.445461211975E+03 -0.65509E-04 -0.10474E-04 1904 0.294E-02 0.613E-02
DAV: 27 -0.445461419752E+03 -0.20778E-03 -0.63029E-05 1664 0.225E-02 0.579E-02
DAV: 28 -0.445461456683E+03 -0.36931E-04 -0.24528E-05 1280 0.131E-02 0.248E-02
DAV: 29 -0.445461521112E+03 -0.64429E-04 -0.33055E-05 1576 0.150E-02 0.142E-02
DAV: 30 -0.445461544165E+03 -0.23054E-04 -0.66326E-06 952 0.645E-03 0.876E-03
DAV: 31 -0.445461568402E+03 -0.24236E-04 -0.34392E-06 1016 0.434E-03 0.682E-03
DAV: 32 -0.445461582900E+03 -0.14499E-04 -0.12071E-06 936 0.344E-03 0.974E-03
DAV: 33 -0.445461590131E+03 -0.72303E-05 -0.24499E-06 936 0.476E-03
1 F= -.44546159E+03 E0= -.44544639E+03 d E =-.455961E-01