iterations/neb0_image06_iter20_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 0.209220266583E+04 0.20922E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.137250763719E+03 -0.22295E+04 -0.21396E+04 2120 0.262E+02
DAV: 3 -0.462078007205E+03 -0.32483E+03 -0.32068E+03 1952 0.107E+02
DAV: 4 -0.475386021895E+03 -0.13308E+02 -0.13232E+02 1928 0.228E+01
DAV: 5 -0.475868934440E+03 -0.48291E+00 -0.48255E+00 2120 0.382E+00 0.429E+01
DAV: 6 -0.450026306407E+03 0.25843E+02 -0.17972E+02 2064 0.325E+01 0.311E+01
DAV: 7 -0.447740126555E+03 0.22862E+01 -0.88118E+01 2004 0.158E+01 0.176E+01
DAV: 8 -0.446111108788E+03 0.16290E+01 -0.13234E+01 2152 0.117E+01 0.100E+01
DAV: 9 -0.445487494979E+03 0.62361E+00 -0.57583E+00 1832 0.556E+00 0.702E+00
DAV: 10 -0.445010114379E+03 0.47738E+00 -0.14183E+00 1896 0.349E+00 0.348E+00
DAV: 11 -0.445356722930E+03 -0.34661E+00 -0.51626E+00 2184 0.303E+00 0.944E+00
DAV: 12 -0.444857176240E+03 0.49955E+00 -0.35913E+00 2008 0.188E+00 0.154E+00
DAV: 13 -0.444920759160E+03 -0.63583E-01 -0.19519E-01 1904 0.928E-01 0.670E-01
DAV: 14 -0.444942810307E+03 -0.22051E-01 -0.29908E-02 2024 0.441E-01 0.122E+00
DAV: 15 -0.444930365239E+03 0.12445E-01 -0.14004E-02 2208 0.379E-01 0.205E-01
DAV: 16 -0.444933340654E+03 -0.29754E-02 -0.41504E-03 1904 0.153E-01 0.167E-01
DAV: 17 -0.444935727651E+03 -0.23870E-02 -0.60193E-03 2328 0.136E-01 0.238E-01
DAV: 18 -0.444936290909E+03 -0.56326E-03 -0.18518E-03 1944 0.847E-02 0.671E-02
DAV: 19 -0.444937616643E+03 -0.13257E-02 -0.91210E-04 2072 0.678E-02 0.133E-01
DAV: 20 -0.444939429954E+03 -0.18133E-02 -0.40883E-04 1816 0.491E-02 0.559E-02
DAV: 21 -0.444940703659E+03 -0.12737E-02 -0.42761E-04 1936 0.436E-02 0.310E-02
DAV: 22 -0.444941284257E+03 -0.58060E-03 -0.13206E-04 1752 0.277E-02 0.287E-02
DAV: 23 -0.444941545445E+03 -0.26119E-03 -0.48540E-05 1568 0.154E-02 0.126E-02
DAV: 24 -0.444941666445E+03 -0.12100E-03 -0.25255E-05 1552 0.119E-02 0.209E-02
DAV: 25 -0.444941740273E+03 -0.73828E-04 -0.17197E-05 1200 0.127E-02 0.671E-03
DAV: 26 -0.444941761065E+03 -0.20792E-04 -0.47541E-06 1016 0.568E-03 0.615E-03
DAV: 27 -0.444941773738E+03 -0.12673E-04 -0.49628E-06 976 0.625E-03 0.188E-03
DAV: 28 -0.444941791612E+03 -0.17874E-04 -0.21352E-06 1008 0.355E-03 0.340E-03
DAV: 29 -0.444941802080E+03 -0.10468E-04 -0.11778E-06 944 0.249E-03 0.262E-03
DAV: 30 -0.444941807644E+03 -0.55635E-05 -0.70806E-07 944 0.224E-03
1 F= -.44494181E+03 E0= -.44493330E+03 d E =-.255310E-01