iterations/neb0_image03_iter10_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 0.209489772506E+04 0.20949E+04 -0.11597E+05 1696 0.105E+03
DAV: 2 -0.137187751639E+03 -0.22321E+04 -0.21428E+04 2144 0.261E+02
DAV: 3 -0.464206527424E+03 -0.32702E+03 -0.32288E+03 1856 0.108E+02
DAV: 4 -0.477217500389E+03 -0.13011E+02 -0.12957E+02 1984 0.228E+01
DAV: 5 -0.477693631475E+03 -0.47613E+00 -0.47590E+00 2144 0.382E+00 0.430E+01
DAV: 6 -0.450034834176E+03 0.27659E+02 -0.14705E+02 2016 0.318E+01 0.407E+01
DAV: 7 -0.454209958943E+03 -0.41751E+01 -0.13528E+02 1816 0.151E+01 0.217E+01
DAV: 8 -0.447703852050E+03 0.65061E+01 -0.96508E+00 1832 0.930E+00 0.135E+01
DAV: 9 -0.445879158393E+03 0.18247E+01 -0.18526E+01 2112 0.122E+01 0.123E+01
DAV: 10 -0.445086514849E+03 0.79264E+00 -0.40188E+00 1880 0.363E+00 0.112E+01
DAV: 11 -0.444521231759E+03 0.56528E+00 -0.57867E-01 2056 0.183E+00 0.101E+01
DAV: 12 -0.444116569496E+03 0.40466E+00 -0.78385E+00 2128 0.340E+00 0.875E+00
DAV: 13 -0.443765597489E+03 0.35097E+00 -0.44597E-01 1904 0.289E+00 0.655E+00
DAV: 14 -0.443611477367E+03 0.15412E+00 -0.33987E+00 1928 0.141E+00 0.613E+00
DAV: 15 -0.443506328311E+03 0.10515E+00 -0.56944E-01 1896 0.664E-01 0.133E+00
DAV: 16 -0.443609988561E+03 -0.10366E+00 -0.33740E-01 1888 0.477E-01 0.511E+00
DAV: 17 -0.443512086704E+03 0.97902E-01 -0.12098E-01 2048 0.387E-01 0.221E+00
DAV: 18 -0.443537156858E+03 -0.25070E-01 -0.85006E-02 2152 0.541E-01 0.117E+00
DAV: 19 -0.443557968931E+03 -0.20812E-01 -0.11406E-02 1800 0.234E-01 0.121E+00
DAV: 20 -0.443550584829E+03 0.73841E-02 -0.41667E-03 2272 0.171E-01 0.695E-01
DAV: 21 -0.443555084035E+03 -0.44992E-02 -0.61165E-03 1984 0.187E-01 0.361E-01
DAV: 22 -0.443559340926E+03 -0.42569E-02 -0.16883E-03 1856 0.976E-02 0.962E-02
DAV: 23 -0.443561398630E+03 -0.20577E-02 -0.47699E-04 1816 0.485E-02 0.777E-02
DAV: 24 -0.443562803870E+03 -0.14052E-02 -0.43878E-04 1936 0.392E-02 0.573E-02
DAV: 25 -0.443563847152E+03 -0.10433E-02 -0.13527E-04 1832 0.248E-02 0.421E-02
DAV: 26 -0.443564281644E+03 -0.43449E-03 -0.43871E-05 1496 0.155E-02 0.827E-02
DAV: 27 -0.443564661549E+03 -0.37990E-03 -0.12712E-04 1680 0.192E-02 0.213E-02
DAV: 28 -0.443564783333E+03 -0.12178E-03 -0.14586E-05 1224 0.105E-02 0.200E-02
DAV: 29 -0.443564826156E+03 -0.42823E-04 -0.10024E-05 1064 0.774E-03 0.361E-02
DAV: 30 -0.443564879399E+03 -0.53242E-04 -0.91776E-06 1160 0.831E-03 0.102E-02
DAV: 31 -0.443564928956E+03 -0.49557E-04 -0.47647E-06 1088 0.442E-03 0.127E-02
DAV: 32 -0.443564943901E+03 -0.14945E-04 -0.13698E-06 936 0.329E-03 0.986E-03
DAV: 33 -0.443564955083E+03 -0.11182E-04 -0.12796E-06 984 0.264E-03 0.361E-03
DAV: 34 -0.443564959198E+03 -0.41152E-05 -0.46898E-07 928 0.191E-03
1 F= -.44356496E+03 E0= -.44355301E+03 d E =-.358372E-01