iterations/neb0_image07_iter11_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 0.210365304328E+04 0.21037E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.136403648219E+03 -0.22401E+04 -0.21509E+04 2152 0.262E+02
DAV: 3 -0.463548531377E+03 -0.32714E+03 -0.32237E+03 1848 0.108E+02
DAV: 4 -0.476767328436E+03 -0.13219E+02 -0.13170E+02 1976 0.230E+01
DAV: 5 -0.477229281817E+03 -0.46195E+00 -0.46166E+00 2088 0.381E+00 0.428E+01
DAV: 6 -0.447852225805E+03 0.29377E+02 -0.14823E+02 2048 0.321E+01 0.272E+01
DAV: 7 -0.445186695635E+03 0.26655E+01 -0.25745E+01 1880 0.117E+01 0.126E+01
DAV: 8 -0.445168286335E+03 0.18409E-01 -0.79211E+00 1968 0.608E+00 0.963E+00
DAV: 9 -0.446229238252E+03 -0.10610E+01 -0.21499E+01 2448 0.732E+00 0.703E+00
DAV: 10 -0.445872796220E+03 0.35644E+00 -0.12501E+00 1832 0.233E+00 0.597E+00
DAV: 11 -0.444953538162E+03 0.91926E+00 -0.96783E-01 2328 0.248E+00 0.414E+00
DAV: 12 -0.444664114038E+03 0.28942E+00 -0.48918E-01 1984 0.188E+00 0.131E+00
DAV: 13 -0.444677528361E+03 -0.13414E-01 -0.89742E-02 1904 0.687E-01 0.103E+00
DAV: 14 -0.444673441072E+03 0.40873E-02 -0.14686E-02 2024 0.345E-01 0.397E-01
DAV: 15 -0.444687433271E+03 -0.13992E-01 -0.24484E-02 2008 0.338E-01 0.936E-01
DAV: 16 -0.444680262985E+03 0.71703E-02 -0.73585E-03 1880 0.276E-01 0.331E-01
DAV: 17 -0.444684177469E+03 -0.39145E-02 -0.75303E-03 2000 0.242E-01 0.533E-01
DAV: 18 -0.444683256087E+03 0.92138E-03 -0.21868E-03 1864 0.102E-01 0.388E-01
DAV: 19 -0.444684000964E+03 -0.74488E-03 -0.56159E-04 2136 0.727E-02 0.360E-01
DAV: 20 -0.444685364534E+03 -0.13636E-02 -0.24031E-03 2176 0.147E-01 0.177E-01
DAV: 21 -0.444687202470E+03 -0.18379E-02 -0.81505E-04 1896 0.711E-02 0.220E-01
DAV: 22 -0.444687504065E+03 -0.30160E-03 -0.34542E-04 2008 0.539E-02 0.111E-01
DAV: 23 -0.444687557548E+03 -0.53483E-04 -0.16857E-04 1792 0.295E-02 0.794E-02
DAV: 24 -0.444687801192E+03 -0.24364E-03 -0.33239E-05 1600 0.167E-02 0.639E-02
DAV: 25 -0.444688943300E+03 -0.11421E-02 -0.23902E-04 1800 0.305E-02 0.270E-02
DAV: 26 -0.444689340390E+03 -0.39709E-03 -0.15952E-04 2008 0.393E-02 0.811E-02
DAV: 27 -0.444689405965E+03 -0.65575E-04 -0.94188E-05 1792 0.221E-02 0.922E-02
DAV: 28 -0.444689385981E+03 0.19984E-04 -0.30870E-05 1384 0.177E-02 0.511E-02
DAV: 29 -0.444689472080E+03 -0.86099E-04 -0.29612E-05 1608 0.121E-02 0.441E-02
DAV: 30 -0.444689480175E+03 -0.80950E-05 -0.10846E-05 1184 0.114E-02
1 F= -.44468948E+03 E0= -.44467714E+03 d E =-.370174E-01