iterations/neb0_image01_iter55_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 0.208825772899E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141282063471E+03 -0.22295E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461850768465E+03 -0.32057E+03 -0.31696E+03 1896 0.107E+02
DAV: 4 -0.475360028167E+03 -0.13509E+02 -0.13285E+02 1968 0.227E+01
DAV: 5 -0.475852011501E+03 -0.49198E+00 -0.49169E+00 2096 0.381E+00 0.435E+01
DAV: 6 -0.458701361977E+03 0.17151E+02 -0.24014E+02 2048 0.319E+01 0.411E+01
DAV: 7 -0.451269770982E+03 0.74316E+01 -0.63008E+01 1796 0.141E+01 0.217E+01
DAV: 8 -0.445354004874E+03 0.59158E+01 -0.10581E+01 1848 0.772E+00 0.118E+01
DAV: 9 -0.444736181335E+03 0.61782E+00 -0.61455E+00 1968 0.454E+00 0.609E+00
DAV: 10 -0.444574804729E+03 0.16138E+00 -0.15282E+00 2072 0.284E+00 0.563E+00
DAV: 11 -0.444719467043E+03 -0.14466E+00 -0.46553E+00 1904 0.188E+00 0.103E+01
DAV: 12 -0.444354442457E+03 0.36502E+00 -0.50067E+00 1968 0.155E+00 0.362E+00
DAV: 13 -0.444404117810E+03 -0.49675E-01 -0.32249E-01 1952 0.718E-01 0.425E-01
DAV: 14 -0.444408109319E+03 -0.39915E-02 -0.23130E-02 1912 0.418E-01 0.235E-01
DAV: 15 -0.444414098369E+03 -0.59891E-02 -0.10927E-02 1904 0.214E-01 0.592E-01
DAV: 16 -0.444413852795E+03 0.24557E-03 -0.23128E-03 2192 0.139E-01 0.278E-01
DAV: 17 -0.444415900319E+03 -0.20475E-02 -0.12320E-03 2280 0.109E-01 0.898E-02
DAV: 18 -0.444418069005E+03 -0.21687E-02 -0.57670E-04 1904 0.566E-02 0.455E-02
DAV: 19 -0.444419840013E+03 -0.17710E-02 -0.22746E-04 1896 0.337E-02 0.851E-02
DAV: 20 -0.444420834386E+03 -0.99437E-03 -0.13087E-04 1800 0.281E-02 0.284E-02
DAV: 21 -0.444421753735E+03 -0.91935E-03 -0.12074E-04 1728 0.263E-02 0.306E-02
DAV: 22 -0.444422519785E+03 -0.76605E-03 -0.15403E-04 1800 0.252E-02 0.262E-02
DAV: 23 -0.444422620241E+03 -0.10046E-03 -0.24591E-05 1440 0.154E-02 0.144E-02
DAV: 24 -0.444422684253E+03 -0.64012E-04 -0.23582E-05 1416 0.126E-02 0.791E-03
DAV: 25 -0.444422758293E+03 -0.74040E-04 -0.73562E-06 1216 0.660E-03 0.527E-03
DAV: 26 -0.444422794531E+03 -0.36238E-04 -0.27669E-06 1088 0.385E-03 0.253E-03
DAV: 27 -0.444422811911E+03 -0.17379E-04 -0.14548E-06 944 0.336E-03 0.290E-03
DAV: 28 -0.444422825325E+03 -0.13414E-04 -0.13972E-06 1024 0.273E-03 0.374E-03
DAV: 29 -0.444422831202E+03 -0.58770E-05 -0.40195E-07 936 0.146E-03
1 F= -.44442283E+03 E0= -.44441590E+03 d E =-.207895E-01