iterations/neb0_image01_iter72_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 0.208841326034E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141254403397E+03 -0.22297E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461715207076E+03 -0.32046E+03 -0.31689E+03 1888 0.107E+02
DAV: 4 -0.475259374535E+03 -0.13544E+02 -0.13327E+02 1952 0.227E+01
DAV: 5 -0.475796594789E+03 -0.53722E+00 -0.53667E+00 2104 0.392E+00 0.435E+01
DAV: 6 -0.459069029866E+03 0.16728E+02 -0.24283E+02 2056 0.321E+01 0.411E+01
DAV: 7 -0.449775500383E+03 0.92935E+01 -0.42087E+01 1764 0.140E+01 0.197E+01
DAV: 8 -0.445377297945E+03 0.43982E+01 -0.86727E+00 1824 0.697E+00 0.110E+01
DAV: 9 -0.446363030455E+03 -0.98573E+00 -0.21094E+01 2080 0.752E+00 0.968E+00
DAV: 10 -0.445850196245E+03 0.51283E+00 -0.13908E+00 1840 0.213E+00 0.830E+00
DAV: 11 -0.445090062024E+03 0.76013E+00 -0.62549E-01 1984 0.182E+00 0.598E+00
DAV: 12 -0.445036669392E+03 0.53393E-01 -0.41544E+00 2088 0.310E+00 0.146E+01
DAV: 13 -0.444433032675E+03 0.60364E+00 -0.59436E+00 1944 0.228E+00 0.338E+00
DAV: 14 -0.444538869605E+03 -0.10584E+00 -0.15884E-01 1944 0.946E-01 0.318E+00
DAV: 15 -0.444455336014E+03 0.83534E-01 -0.21357E-02 1928 0.421E-01 0.267E+00
DAV: 16 -0.444406530984E+03 0.48805E-01 -0.10512E-02 2024 0.328E-01 0.105E+00
DAV: 17 -0.444420142776E+03 -0.13612E-01 -0.58912E-03 1944 0.267E-01 0.120E+00
DAV: 18 -0.444415388655E+03 0.47541E-02 -0.23106E-01 2000 0.415E-01 0.706E-01
DAV: 19 -0.444422754420E+03 -0.73658E-02 -0.49733E-03 1912 0.153E-01 0.367E-01
DAV: 20 -0.444422295744E+03 0.45868E-03 -0.78400E-04 1928 0.581E-02 0.178E-01
DAV: 21 -0.444424079973E+03 -0.17842E-02 -0.49024E-04 2456 0.767E-02 0.216E-01
DAV: 22 -0.444424059231E+03 0.20742E-04 -0.24447E-04 1912 0.420E-02 0.998E-02
DAV: 23 -0.444424975879E+03 -0.91665E-03 -0.11845E-04 1944 0.285E-02 0.140E-01
DAV: 24 -0.444425035490E+03 -0.59611E-04 -0.97759E-05 1928 0.296E-02 0.295E-02
DAV: 25 -0.444425435258E+03 -0.39977E-03 -0.39654E-05 1536 0.150E-02 0.129E-02
DAV: 26 -0.444425776040E+03 -0.34078E-03 -0.49644E-05 1624 0.179E-02 0.121E-02
DAV: 27 -0.444425863181E+03 -0.87141E-04 -0.11993E-05 1312 0.118E-02 0.173E-02
DAV: 28 -0.444425901838E+03 -0.38657E-04 -0.12237E-05 1192 0.769E-03 0.382E-03
DAV: 29 -0.444425917295E+03 -0.15457E-04 -0.22984E-06 952 0.374E-03 0.304E-03
DAV: 30 -0.444425939211E+03 -0.21915E-04 -0.19350E-06 1040 0.368E-03 0.429E-03
DAV: 31 -0.444425948986E+03 -0.97753E-05 -0.90272E-07 944 0.266E-03
1 F= -.44442595E+03 E0= -.44441893E+03 d E =-.210513E-01