iterations/neb0_image02_iter29_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 0.208935095369E+04 0.20894E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.141776635070E+03 -0.22311E+04 -0.21436E+04 2144 0.261E+02
DAV: 3 -0.462174347807E+03 -0.32040E+03 -0.31634E+03 1912 0.107E+02
DAV: 4 -0.475808187257E+03 -0.13634E+02 -0.13490E+02 1928 0.228E+01
DAV: 5 -0.476344617301E+03 -0.53643E+00 -0.53604E+00 2160 0.393E+00 0.434E+01
DAV: 6 -0.456170472450E+03 0.20174E+02 -0.17351E+02 2032 0.318E+01 0.408E+01
DAV: 7 -0.452560503848E+03 0.36100E+01 -0.42722E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445546397361E+03 0.70141E+01 -0.98232E+00 1832 0.797E+00 0.131E+01
DAV: 9 -0.448597251772E+03 -0.30509E+01 -0.64346E+01 2072 0.103E+01 0.224E+01
DAV: 10 -0.445821112414E+03 0.27761E+01 -0.35380E+01 1864 0.392E+00 0.100E+01
DAV: 11 -0.445657468344E+03 0.16364E+00 -0.30715E-01 1944 0.103E+00 0.954E+00
DAV: 12 -0.445396290098E+03 0.26118E+00 -0.19498E-01 1912 0.122E+00 0.819E+00
DAV: 13 -0.445351036528E+03 0.45254E-01 -0.10436E+00 1944 0.295E+00 0.560E+00
DAV: 14 -0.445034230993E+03 0.31681E+00 -0.31373E-01 1976 0.137E+00 0.464E+00
DAV: 15 -0.444839101320E+03 0.19513E+00 -0.79790E-02 1984 0.808E-01 0.404E+00
DAV: 16 -0.444739216596E+03 0.99885E-01 -0.32176E-02 1888 0.439E-01 0.375E+00
DAV: 17 -0.444550354958E+03 0.18886E+00 -0.21178E-02 2416 0.571E-01 0.335E+00
DAV: 18 -0.444413096859E+03 0.13726E+00 -0.78341E-01 2040 0.885E-01 0.318E+00
DAV: 19 -0.444330324649E+03 0.82772E-01 -0.54460E-02 1920 0.630E-01 0.179E+00
DAV: 20 -0.444318511723E+03 0.11813E-01 -0.40427E-02 1888 0.536E-01 0.119E+00
DAV: 21 -0.444318681692E+03 -0.16997E-03 -0.14403E-02 1840 0.272E-01 0.445E-01
DAV: 22 -0.444326320962E+03 -0.76393E-02 -0.45229E-03 1872 0.178E-01 0.785E-01
DAV: 23 -0.444325510469E+03 0.81049E-03 -0.86628E-03 1888 0.136E-01 0.121E+00
DAV: 24 -0.444317191359E+03 0.83191E-02 -0.27242E-02 1856 0.172E-01 0.305E-01
DAV: 25 -0.444322068780E+03 -0.48774E-02 -0.87835E-04 1864 0.623E-02 0.284E-01
DAV: 26 -0.444322961484E+03 -0.89270E-03 -0.11076E-04 1912 0.332E-02 0.297E-01
DAV: 27 -0.444324349187E+03 -0.13877E-02 -0.46190E-04 1840 0.526E-02 0.128E-01
DAV: 28 -0.444325855040E+03 -0.15059E-02 -0.72336E-04 1896 0.704E-02 0.198E-01
DAV: 29 -0.444325642789E+03 0.21225E-03 -0.12630E-04 1872 0.252E-02 0.187E-01
DAV: 30 -0.444325521572E+03 0.12122E-03 -0.92371E-06 1168 0.108E-02 0.161E-01
DAV: 31 -0.444325809226E+03 -0.28765E-03 -0.53057E-05 1776 0.272E-02 0.354E-02
DAV: 32 -0.444326168703E+03 -0.35948E-03 -0.39720E-05 1608 0.154E-02 0.538E-02
DAV: 33 -0.444326218758E+03 -0.50054E-04 -0.23841E-05 1256 0.115E-02 0.255E-02
DAV: 34 -0.444326255733E+03 -0.36975E-04 -0.39843E-06 1096 0.555E-03 0.196E-02
DAV: 35 -0.444326287082E+03 -0.31349E-04 -0.67405E-06 1152 0.742E-03 0.117E-02
DAV: 36 -0.444326293492E+03 -0.64105E-05 -0.28757E-06 928 0.445E-03
1 F= -.44432629E+03 E0= -.44431990E+03 d E =-.191771E-01