iterations/neb0_image01_iter24_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 0.208847854141E+04 0.20885E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140599881038E+03 -0.22291E+04 -0.21400E+04 2136 0.261E+02
DAV: 3 -0.461917910430E+03 -0.32132E+03 -0.31743E+03 1912 0.107E+02
DAV: 4 -0.475688344120E+03 -0.13770E+02 -0.13590E+02 1976 0.228E+01
DAV: 5 -0.476149875382E+03 -0.46153E+00 -0.46124E+00 2132 0.374E+00 0.434E+01
DAV: 6 -0.457200553817E+03 0.18949E+02 -0.20073E+02 2032 0.317E+01 0.411E+01
DAV: 7 -0.450565963323E+03 0.66346E+01 -0.42537E+01 1768 0.139E+01 0.201E+01
DAV: 8 -0.445978197968E+03 0.45878E+01 -0.80718E+00 1792 0.718E+00 0.115E+01
DAV: 9 -0.446257922718E+03 -0.27972E+00 -0.16698E+01 2028 0.826E+00 0.964E+00
DAV: 10 -0.445804541179E+03 0.45338E+00 -0.15472E+00 1848 0.225E+00 0.858E+00
DAV: 11 -0.444920389488E+03 0.88415E+00 -0.69234E-01 1960 0.185E+00 0.616E+00
DAV: 12 -0.445449885295E+03 -0.52950E+00 -0.10770E+01 2072 0.329E+00 0.137E+01
DAV: 13 -0.444307766266E+03 0.11421E+01 -0.67759E-01 1960 0.250E+00 0.352E+00
DAV: 14 -0.444390007302E+03 -0.82241E-01 -0.14123E-01 1872 0.731E-01 0.141E+00
DAV: 15 -0.444379114860E+03 0.10892E-01 -0.11854E-02 1912 0.297E-01 0.858E-01
DAV: 16 -0.444382981016E+03 -0.38662E-02 -0.17564E-02 1888 0.328E-01 0.418E-01
DAV: 17 -0.444389581474E+03 -0.66005E-02 -0.52559E-03 1872 0.208E-01 0.248E-01
DAV: 18 -0.444392050904E+03 -0.24694E-02 -0.18348E-03 1904 0.987E-02 0.120E-01
DAV: 19 -0.444392355845E+03 -0.30494E-03 -0.20427E-04 1960 0.393E-02 0.956E-02
DAV: 20 -0.444394888431E+03 -0.25326E-02 -0.93208E-04 2176 0.996E-02 0.201E-01
DAV: 21 -0.444394827325E+03 0.61106E-04 -0.33497E-04 1960 0.507E-02 0.106E-01
DAV: 22 -0.444395481964E+03 -0.65464E-03 -0.19898E-04 2032 0.409E-02 0.723E-02
DAV: 23 -0.444396006875E+03 -0.52491E-03 -0.21944E-04 1888 0.395E-02 0.335E-02
DAV: 24 -0.444396516802E+03 -0.50993E-03 -0.62985E-05 1776 0.277E-02 0.525E-02
DAV: 25 -0.444396847573E+03 -0.33077E-03 -0.67537E-05 1776 0.202E-02 0.345E-02
DAV: 26 -0.444397010211E+03 -0.16264E-03 -0.48197E-05 1592 0.193E-02 0.239E-02
DAV: 27 -0.444397162798E+03 -0.15259E-03 -0.16995E-05 1336 0.997E-03 0.109E-02
DAV: 28 -0.444397216949E+03 -0.54151E-04 -0.86684E-06 1280 0.610E-03 0.809E-03
DAV: 29 -0.444397238666E+03 -0.21717E-04 -0.25183E-06 1000 0.533E-03 0.494E-03
DAV: 30 -0.444397248747E+03 -0.10082E-04 -0.22224E-06 936 0.369E-03 0.415E-03
DAV: 31 -0.444397259287E+03 -0.10540E-04 -0.76538E-07 968 0.263E-03 0.175E-03
DAV: 32 -0.444397266985E+03 -0.76981E-05 -0.92118E-07 928 0.226E-03
1 F= -.44439727E+03 E0= -.44439086E+03 d E =-.192214E-01