iterations/neb0_image09_iter8_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 0.209900420529E+04 0.20990E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141965436213E+03 -0.22410E+04 -0.21514E+04 2152 0.262E+02
DAV: 3 -0.466121445106E+03 -0.32416E+03 -0.32074E+03 1840 0.108E+02
DAV: 4 -0.478969548746E+03 -0.12848E+02 -0.12800E+02 1984 0.228E+01
DAV: 5 -0.479415510972E+03 -0.44596E+00 -0.44573E+00 2128 0.374E+00 0.428E+01
DAV: 6 -0.447307095045E+03 0.32108E+02 -0.14340E+02 2016 0.309E+01 0.270E+01
DAV: 7 -0.448556075495E+03 -0.12490E+01 -0.65450E+01 1872 0.111E+01 0.135E+01
DAV: 8 -0.446522451588E+03 0.20336E+01 -0.76235E+00 2512 0.799E+00 0.994E+00
DAV: 9 -0.446759224154E+03 -0.23677E+00 -0.20376E+01 2024 0.462E+00 0.556E+00
DAV: 10 -0.445840925165E+03 0.91830E+00 -0.95975E-01 2240 0.419E+00 0.316E+00
DAV: 11 -0.445864729370E+03 -0.23804E-01 -0.16903E+00 1888 0.167E+00 0.311E+00
DAV: 12 -0.445832188024E+03 0.32541E-01 -0.13137E+00 1968 0.101E+00 0.254E+00
DAV: 13 -0.445861632469E+03 -0.29444E-01 -0.11303E+00 2176 0.796E-01 0.315E+00
DAV: 14 -0.445796662785E+03 0.64970E-01 -0.39236E-01 2024 0.627E-01 0.364E-01
DAV: 15 -0.445813195299E+03 -0.16533E-01 -0.38145E-02 1968 0.334E-01 0.124E+00
DAV: 16 -0.445804730818E+03 0.84645E-02 -0.16074E-02 1848 0.184E-01 0.375E-01
DAV: 17 -0.445806845015E+03 -0.21142E-02 -0.27664E-03 1904 0.106E-01 0.154E-01
DAV: 18 -0.445810122041E+03 -0.32770E-02 -0.25977E-03 2032 0.776E-02 0.297E-01
DAV: 19 -0.445811645083E+03 -0.15230E-02 -0.12765E-03 1992 0.868E-02 0.563E-02
DAV: 20 -0.445813600832E+03 -0.19557E-02 -0.94613E-04 2016 0.731E-02 0.732E-02
DAV: 21 -0.445814438369E+03 -0.83754E-03 -0.19907E-04 1952 0.373E-02 0.663E-02
DAV: 22 -0.445815042289E+03 -0.60392E-03 -0.18350E-04 1880 0.291E-02 0.284E-02
DAV: 23 -0.445815396172E+03 -0.35388E-03 -0.84831E-05 1680 0.175E-02 0.532E-02
DAV: 24 -0.445815510582E+03 -0.11441E-03 -0.29546E-05 1288 0.162E-02 0.279E-02
DAV: 25 -0.445815652023E+03 -0.14144E-03 -0.29402E-05 1360 0.108E-02 0.727E-03
DAV: 26 -0.445815708238E+03 -0.56214E-04 -0.44571E-06 1032 0.645E-03 0.602E-03
DAV: 27 -0.445815750440E+03 -0.42202E-04 -0.33972E-06 1096 0.405E-03 0.572E-03
DAV: 28 -0.445815761774E+03 -0.11334E-04 -0.69016E-07 936 0.221E-03 0.178E-03
DAV: 29 -0.445815780231E+03 -0.18458E-04 -0.17747E-06 1008 0.357E-03 0.242E-03
DAV: 30 -0.445815782941E+03 -0.27097E-05 -0.42472E-07 936 0.228E-03
1 F= -.44581578E+03 E0= -.44579140E+03 d E =-.731547E-01