./iterations/neb0_image04_iter54_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 0.208947065727E+04 0.20895E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141390565733E+03 -0.22309E+04 -0.21429E+04 2136 0.262E+02
DAV: 3 -0.465657555483E+03 -0.32427E+03 -0.32069E+03 1864 0.107E+02
DAV: 4 -0.478125430343E+03 -0.12468E+02 -0.12417E+02 1944 0.224E+01
DAV: 5 -0.478595358056E+03 -0.46993E+00 -0.46967E+00 2160 0.378E+00 0.430E+01
DAV: 6 -0.448092357718E+03 0.30503E+02 -0.14708E+02 2024 0.318E+01 0.382E+01
DAV: 7 -0.454171208247E+03 -0.60789E+01 -0.25746E+02 1896 0.143E+01 0.207E+01
DAV: 8 -0.448167172051E+03 0.60040E+01 -0.89223E+00 1784 0.789E+00 0.129E+01
DAV: 9 -0.446590734508E+03 0.15764E+01 -0.26176E+01 2008 0.124E+01 0.963E+00
DAV: 10 -0.445785301210E+03 0.80543E+00 -0.46223E+00 1872 0.380E+00 0.103E+01
DAV: 11 -0.445021334550E+03 0.76397E+00 -0.85012E-01 1952 0.196E+00 0.715E+00
DAV: 12 -0.444931231073E+03 0.90103E-01 -0.81626E+00 2192 0.370E+00 0.725E+00
DAV: 13 -0.444684952538E+03 0.24628E+00 -0.96295E-01 2088 0.334E+00 0.691E+00
DAV: 14 -0.444262181797E+03 0.42277E+00 -0.10659E+00 1888 0.135E+00 0.187E+00
DAV: 15 -0.444325997522E+03 -0.63816E-01 -0.59324E-01 1912 0.821E-01 0.261E+00
DAV: 16 -0.444425062955E+03 -0.99065E-01 -0.22184E-01 2248 0.659E-01 0.579E+00
DAV: 17 -0.444253458646E+03 0.17160E+00 -0.33393E-01 2024 0.674E-01 0.166E+00
DAV: 18 -0.444314555384E+03 -0.61097E-01 -0.23068E-01 2032 0.703E-01 0.192E+00
DAV: 19 -0.444297884009E+03 0.16671E-01 -0.30009E-02 1904 0.477E-01 0.649E-01
DAV: 20 -0.444305778930E+03 -0.78949E-02 -0.14961E-02 1904 0.225E-01 0.367E-01
DAV: 21 -0.444307319856E+03 -0.15409E-02 -0.18608E-03 1952 0.110E-01 0.441E-01
DAV: 22 -0.444308909063E+03 -0.15892E-02 -0.22907E-03 1840 0.121E-01 0.453E-01
DAV: 23 -0.444310677156E+03 -0.17681E-02 -0.13668E-03 1984 0.921E-02 0.238E-01
DAV: 24 -0.444313024371E+03 -0.23472E-02 -0.39334E-03 2040 0.114E-01 0.229E-01
DAV: 25 -0.444313757568E+03 -0.73320E-03 -0.10119E-03 1880 0.628E-02 0.376E-02
DAV: 26 -0.444314759558E+03 -0.10020E-02 -0.21992E-04 1808 0.249E-02 0.819E-02
DAV: 27 -0.444315091793E+03 -0.33223E-03 -0.16602E-04 1728 0.286E-02 0.392E-02
DAV: 28 -0.444315424017E+03 -0.33222E-03 -0.61581E-05 1528 0.138E-02 0.168E-02
DAV: 29 -0.444315521130E+03 -0.97113E-04 -0.17622E-05 1296 0.118E-02 0.143E-02
DAV: 30 -0.444315575230E+03 -0.54100E-04 -0.11214E-05 1016 0.873E-03 0.968E-03
DAV: 31 -0.444315622906E+03 -0.47676E-04 -0.39079E-06 1136 0.399E-03 0.514E-03
DAV: 32 -0.444315639000E+03 -0.16094E-04 -0.26880E-06 952 0.449E-03 0.380E-03
DAV: 33 -0.444315648406E+03 -0.94062E-05 -0.11753E-06 960 0.279E-03
1 F= -.44431565E+03 E0= -.44430098E+03 d E =-.439936E-01