iterations/neb0_image04_iter48_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 0.208795743523E+04 0.20880E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141527171729E+03 -0.22295E+04 -0.21389E+04 2136 0.261E+02
DAV: 3 -0.465823658374E+03 -0.32430E+03 -0.32084E+03 1856 0.107E+02
DAV: 4 -0.478245606796E+03 -0.12422E+02 -0.12367E+02 1944 0.224E+01
DAV: 5 -0.478721103991E+03 -0.47550E+00 -0.47523E+00 2128 0.381E+00 0.429E+01
DAV: 6 -0.447802447625E+03 0.30919E+02 -0.14648E+02 2024 0.318E+01 0.381E+01
DAV: 7 -0.454388102962E+03 -0.65857E+01 -0.29672E+02 1920 0.140E+01 0.209E+01
DAV: 8 -0.448311650531E+03 0.60765E+01 -0.88378E+00 1808 0.773E+00 0.128E+01
DAV: 9 -0.446253336690E+03 0.20583E+01 -0.23273E+01 2016 0.120E+01 0.951E+00
DAV: 10 -0.445510485170E+03 0.74285E+00 -0.45401E+00 1896 0.373E+00 0.103E+01
DAV: 11 -0.444787040398E+03 0.72344E+00 -0.83908E-01 1976 0.187E+00 0.688E+00
DAV: 12 -0.445073397899E+03 -0.28636E+00 -0.95432E+00 2200 0.361E+00 0.713E+00
DAV: 13 -0.444489401521E+03 0.58400E+00 -0.93067E-01 2056 0.324E+00 0.656E+00
DAV: 14 -0.444215183171E+03 0.27422E+00 -0.21616E+00 1888 0.136E+00 0.171E+00
DAV: 15 -0.444304698448E+03 -0.89515E-01 -0.24112E-01 1896 0.771E-01 0.368E+00
DAV: 16 -0.444262984728E+03 0.41714E-01 -0.27302E-02 2040 0.431E-01 0.346E+00
DAV: 17 -0.444208203804E+03 0.54781E-01 -0.27836E-01 1992 0.490E-01 0.549E-01
DAV: 18 -0.444257469263E+03 -0.49265E-01 -0.48979E-02 1960 0.418E-01 0.160E+00
DAV: 19 -0.444237867174E+03 0.19602E-01 -0.27385E-02 1920 0.331E-01 0.299E-01
DAV: 20 -0.444247249503E+03 -0.93823E-02 -0.36717E-03 1824 0.130E-01 0.120E-01
DAV: 21 -0.444249901893E+03 -0.26524E-02 -0.19339E-03 2120 0.941E-02 0.390E-01
DAV: 22 -0.444252017479E+03 -0.21156E-02 -0.13915E-03 1880 0.824E-02 0.248E-01
DAV: 23 -0.444253957327E+03 -0.19398E-02 -0.12884E-03 2056 0.722E-02 0.787E-02
DAV: 24 -0.444255524462E+03 -0.15671E-02 -0.11443E-03 1824 0.673E-02 0.167E-01
DAV: 25 -0.444255584747E+03 -0.60285E-04 -0.88430E-05 1784 0.256E-02 0.127E-01
DAV: 26 -0.444256371566E+03 -0.78682E-03 -0.59713E-04 2088 0.477E-02 0.643E-02
DAV: 27 -0.444256743629E+03 -0.37206E-03 -0.94698E-05 1776 0.224E-02 0.203E-02
DAV: 28 -0.444256865319E+03 -0.12169E-03 -0.39552E-05 1336 0.979E-03 0.379E-02
DAV: 29 -0.444256903417E+03 -0.38098E-04 -0.32359E-05 1056 0.101E-02 0.841E-03
DAV: 30 -0.444256971543E+03 -0.68125E-04 -0.13729E-05 1208 0.725E-03 0.292E-02
DAV: 31 -0.444256977591E+03 -0.60485E-05 -0.60609E-06 952 0.589E-03
1 F= -.44425698E+03 E0= -.44423851E+03 d E =-.553945E-01