iterations/neb0_image03_iter57_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 0.209766098599E+04 0.20977E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138601379061E+03 -0.22363E+04 -0.21455E+04 2160 0.262E+02
DAV: 3 -0.463747063147E+03 -0.32515E+03 -0.31951E+03 1920 0.108E+02
DAV: 4 -0.476817858419E+03 -0.13071E+02 -0.13027E+02 1960 0.228E+01
DAV: 5 -0.477265453370E+03 -0.44759E+00 -0.44738E+00 2136 0.375E+00 0.432E+01
DAV: 6 -0.453488090591E+03 0.23777E+02 -0.14791E+02 2016 0.319E+01 0.422E+01
DAV: 7 -0.453696263681E+03 -0.20817E+00 -0.83332E+01 1800 0.145E+01 0.219E+01
DAV: 8 -0.447205809715E+03 0.64905E+01 -0.10002E+01 1864 0.843E+00 0.136E+01
DAV: 9 -0.447098994580E+03 0.10682E+00 -0.22360E+01 2024 0.109E+01 0.119E+01
DAV: 10 -0.446266248790E+03 0.83275E+00 -0.34761E+00 1808 0.337E+00 0.109E+01
DAV: 11 -0.445475481938E+03 0.79077E+00 -0.61693E-01 1960 0.196E+00 0.931E+00
DAV: 12 -0.445441176352E+03 0.34306E-01 -0.86176E+00 2104 0.487E+00 0.115E+01
DAV: 13 -0.444354981337E+03 0.10862E+01 -0.12854E+00 2008 0.397E+00 0.573E+00
DAV: 14 -0.444175106767E+03 0.17987E+00 -0.54012E-01 1848 0.111E+00 0.199E+00
DAV: 15 -0.444170662088E+03 0.44447E-02 -0.64237E-02 1928 0.775E-01 0.105E+00
DAV: 16 -0.444208786139E+03 -0.38124E-01 -0.41606E-02 2000 0.582E-01 0.213E+00
DAV: 17 -0.444191420902E+03 0.17365E-01 -0.13554E-02 1840 0.369E-01 0.465E-01
DAV: 18 -0.444200774717E+03 -0.93538E-02 -0.42022E-03 1976 0.180E-01 0.612E-01
DAV: 19 -0.444200488287E+03 0.28643E-03 -0.49461E-03 1864 0.176E-01 0.188E-01
DAV: 20 -0.444202849594E+03 -0.23613E-02 -0.14179E-03 1936 0.112E-01 0.295E-01
DAV: 21 -0.444202841772E+03 0.78212E-05 -0.80031E-04 1872 0.798E-02 0.108E-01
DAV: 22 -0.444204013000E+03 -0.11712E-02 -0.19300E-04 1832 0.392E-02 0.810E-02
DAV: 23 -0.444206568399E+03 -0.25554E-02 -0.71040E-04 1824 0.632E-02 0.141E-01
DAV: 24 -0.444206539761E+03 0.28638E-04 -0.12494E-04 1872 0.265E-02 0.144E-01
DAV: 25 -0.444206773248E+03 -0.23349E-03 -0.88997E-05 1768 0.325E-02 0.359E-02
DAV: 26 -0.444207188556E+03 -0.41531E-03 -0.70489E-05 1792 0.248E-02 0.471E-02
DAV: 27 -0.444207280084E+03 -0.91529E-04 -0.17323E-05 1264 0.110E-02 0.462E-02
DAV: 28 -0.444207325427E+03 -0.45343E-04 -0.14572E-05 1256 0.107E-02 0.170E-02
DAV: 29 -0.444207368699E+03 -0.43271E-04 -0.51731E-06 1008 0.594E-03 0.682E-03
DAV: 30 -0.444207401231E+03 -0.32532E-04 -0.24988E-06 1080 0.362E-03 0.708E-03
DAV: 31 -0.444207416829E+03 -0.15598E-04 -0.14085E-06 944 0.417E-03 0.436E-03
DAV: 32 -0.444207425123E+03 -0.82945E-05 -0.30319E-06 952 0.453E-03
1 F= -.44420743E+03 E0= -.44419661E+03 d E =-.324581E-01