iterations/neb0_image09_iter15_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 0.209527768482E+04 0.20953E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141958526123E+03 -0.22372E+04 -0.21484E+04 2144 0.262E+02
DAV: 3 -0.466267684339E+03 -0.32431E+03 -0.32088E+03 1848 0.108E+02
DAV: 4 -0.479013990740E+03 -0.12746E+02 -0.12696E+02 1968 0.227E+01
DAV: 5 -0.479470379662E+03 -0.45639E+00 -0.45616E+00 2152 0.378E+00 0.426E+01
DAV: 6 -0.447241814221E+03 0.32229E+02 -0.14318E+02 2024 0.308E+01 0.270E+01
DAV: 7 -0.448787461325E+03 -0.15456E+01 -0.69650E+01 1936 0.113E+01 0.136E+01
DAV: 8 -0.446387621158E+03 0.23998E+01 -0.79049E+00 2464 0.799E+00 0.963E+00
DAV: 9 -0.446893431049E+03 -0.50581E+00 -0.21058E+01 2016 0.447E+00 0.543E+00
DAV: 10 -0.445869722912E+03 0.10237E+01 -0.89707E-01 2224 0.410E+00 0.213E+00
DAV: 11 -0.445901422811E+03 -0.31700E-01 -0.88094E-01 1888 0.148E+00 0.191E+00
DAV: 12 -0.445920173243E+03 -0.18750E-01 -0.85903E-01 1952 0.874E-01 0.291E+00
DAV: 13 -0.445993665952E+03 -0.73493E-01 -0.18784E+00 2400 0.990E-01 0.414E+00
DAV: 14 -0.445870556029E+03 0.12311E+00 -0.22798E-01 2032 0.664E-01 0.106E+00
DAV: 15 -0.445875224645E+03 -0.46686E-02 -0.75965E-02 2080 0.387E-01 0.586E-01
DAV: 16 -0.445877978524E+03 -0.27539E-02 -0.58260E-03 1808 0.188E-01 0.268E-01
DAV: 17 -0.445879866069E+03 -0.18875E-02 -0.13284E-03 2032 0.829E-02 0.377E-01
DAV: 18 -0.445881978181E+03 -0.21121E-02 -0.34485E-03 1968 0.882E-02 0.218E-01
DAV: 19 -0.445883867574E+03 -0.18894E-02 -0.79291E-04 1864 0.732E-02 0.799E-02
DAV: 20 -0.445885917338E+03 -0.20498E-02 -0.65001E-04 2088 0.605E-02 0.589E-02
DAV: 21 -0.445887413929E+03 -0.14966E-02 -0.35315E-04 1832 0.378E-02 0.110E-01
DAV: 22 -0.445888125770E+03 -0.71184E-03 -0.20635E-04 1888 0.305E-02 0.144E-02
DAV: 23 -0.445888389493E+03 -0.26372E-03 -0.70014E-05 1656 0.177E-02 0.451E-02
DAV: 24 -0.445888539713E+03 -0.15022E-03 -0.31301E-05 1480 0.141E-02 0.319E-02
DAV: 25 -0.445888597970E+03 -0.58257E-04 -0.15610E-05 1088 0.885E-03 0.699E-03
DAV: 26 -0.445888690120E+03 -0.92150E-04 -0.10732E-05 1128 0.928E-03 0.584E-03
DAV: 27 -0.445888735912E+03 -0.45792E-04 -0.48627E-06 1072 0.433E-03 0.462E-03
DAV: 28 -0.445888746070E+03 -0.10158E-04 -0.76026E-07 936 0.294E-03 0.162E-03
DAV: 29 -0.445888768468E+03 -0.22397E-04 -0.43672E-06 1032 0.588E-03 0.414E-03
DAV: 30 -0.445888770722E+03 -0.22541E-05 -0.87755E-07 936 0.331E-03
1 F= -.44588877E+03 E0= -.44586315E+03 d E =-.768640E-01