iterations/neb0_image01_iter38_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 0.208842237018E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141223609312E+03 -0.22296E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461874637778E+03 -0.32065E+03 -0.31712E+03 1896 0.107E+02
DAV: 4 -0.475285386380E+03 -0.13411E+02 -0.13203E+02 1976 0.226E+01
DAV: 5 -0.475774073347E+03 -0.48869E+00 -0.48814E+00 2088 0.378E+00 0.435E+01
DAV: 6 -0.459057304000E+03 0.16717E+02 -0.24309E+02 2056 0.320E+01 0.411E+01
DAV: 7 -0.448422566869E+03 0.10635E+02 -0.42590E+01 1760 0.140E+01 0.185E+01
DAV: 8 -0.445924990042E+03 0.24976E+01 -0.69588E+00 1764 0.639E+00 0.115E+01
DAV: 9 -0.445999097190E+03 -0.74107E-01 -0.16881E+01 2040 0.773E+00 0.914E+00
DAV: 10 -0.445628650835E+03 0.37045E+00 -0.14648E+00 1880 0.221E+00 0.804E+00
DAV: 11 -0.444726609554E+03 0.90204E+00 -0.95635E-01 2048 0.202E+00 0.512E+00
DAV: 12 -0.444702191220E+03 0.24418E-01 -0.49619E+00 2048 0.221E+00 0.113E+01
DAV: 13 -0.444463553968E+03 0.23864E+00 -0.79384E+00 1936 0.185E+00 0.372E+00
DAV: 14 -0.444455152932E+03 0.84010E-02 -0.75533E-02 1832 0.600E-01 0.290E+00
DAV: 15 -0.444384913495E+03 0.70239E-01 -0.15051E-01 1928 0.502E-01 0.487E-01
DAV: 16 -0.444406644896E+03 -0.21731E-01 -0.99937E-03 1856 0.266E-01 0.380E-01
DAV: 17 -0.444411793609E+03 -0.51487E-02 -0.94211E-03 1960 0.235E-01 0.389E-01
DAV: 18 -0.444419059578E+03 -0.72660E-02 -0.27046E-03 1960 0.130E-01 0.810E-01
DAV: 19 -0.444413294070E+03 0.57655E-02 -0.11509E-03 1968 0.992E-02 0.347E-01
DAV: 20 -0.444415991114E+03 -0.26970E-02 -0.31440E-04 1928 0.445E-02 0.375E-01
DAV: 21 -0.444416348041E+03 -0.35693E-03 -0.54942E-04 1976 0.673E-02 0.948E-02
DAV: 22 -0.444417518505E+03 -0.11705E-02 -0.13667E-04 1832 0.266E-02 0.600E-02
DAV: 23 -0.444418191102E+03 -0.67260E-03 -0.10075E-04 1856 0.293E-02 0.365E-02
DAV: 24 -0.444418681946E+03 -0.49084E-03 -0.58408E-05 1840 0.248E-02 0.499E-02
DAV: 25 -0.444419270406E+03 -0.58846E-03 -0.88520E-05 1680 0.224E-02 0.273E-02
DAV: 26 -0.444419426507E+03 -0.15610E-03 -0.32880E-05 1496 0.116E-02 0.252E-02
DAV: 27 -0.444419465939E+03 -0.39432E-04 -0.43842E-06 1072 0.564E-03 0.147E-02
DAV: 28 -0.444419503919E+03 -0.37980E-04 -0.58090E-06 1160 0.638E-03 0.370E-03
DAV: 29 -0.444419521905E+03 -0.17986E-04 -0.18875E-06 960 0.357E-03 0.286E-03
DAV: 30 -0.444419538118E+03 -0.16213E-04 -0.24894E-06 1040 0.435E-03 0.290E-03
DAV: 31 -0.444419542746E+03 -0.46275E-05 -0.71336E-07 936 0.217E-03
1 F= -.44441954E+03 E0= -.44441251E+03 d E =-.211075E-01