iterations/neb0_image07_iter56_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 0.210093234341E+04 0.21009E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.137895169596E+03 -0.22388E+04 -0.21461E+04 2144 0.262E+02
DAV: 3 -0.464070844183E+03 -0.32618E+03 -0.32128E+03 1848 0.108E+02
DAV: 4 -0.477344389715E+03 -0.13274E+02 -0.13226E+02 1992 0.230E+01
DAV: 5 -0.477801497499E+03 -0.45711E+00 -0.45687E+00 2080 0.377E+00 0.428E+01
DAV: 6 -0.448612632084E+03 0.29189E+02 -0.14699E+02 2040 0.318E+01 0.271E+01
DAV: 7 -0.445901172115E+03 0.27115E+01 -0.26313E+01 1880 0.118E+01 0.126E+01
DAV: 8 -0.445679004535E+03 0.22217E+00 -0.66025E+00 1960 0.625E+00 0.799E+00
DAV: 9 -0.447179954893E+03 -0.15010E+01 -0.29010E+01 2440 0.766E+00 0.691E+00
DAV: 10 -0.446313191270E+03 0.86676E+00 -0.14675E+00 1808 0.255E+00 0.584E+00
DAV: 11 -0.445627358276E+03 0.68583E+00 -0.81291E-01 2184 0.271E+00 0.424E+00
DAV: 12 -0.445440654426E+03 0.18670E+00 -0.28303E+00 2096 0.247E+00 0.361E+00
DAV: 13 -0.445461619373E+03 -0.20965E-01 -0.12462E+00 2048 0.161E+00 0.222E+00
DAV: 14 -0.445450109338E+03 0.11510E-01 -0.66138E-02 1848 0.462E-01 0.203E+00
DAV: 15 -0.445416128503E+03 0.33981E-01 -0.49360E-02 2064 0.364E-01 0.127E+00
DAV: 16 -0.445405278203E+03 0.10850E-01 -0.24701E-02 2096 0.496E-01 0.358E-01
DAV: 17 -0.445410766861E+03 -0.54887E-02 -0.75401E-03 1816 0.188E-01 0.253E-01
DAV: 18 -0.445411275111E+03 -0.50825E-03 -0.55226E-04 2008 0.489E-02 0.212E-01
DAV: 19 -0.445413052903E+03 -0.17778E-02 -0.96850E-04 1856 0.637E-02 0.115E-01
DAV: 20 -0.445415006558E+03 -0.19537E-02 -0.12923E-03 1944 0.872E-02 0.151E-01
DAV: 21 -0.445416130856E+03 -0.11243E-02 -0.39044E-04 2024 0.608E-02 0.430E-02
DAV: 22 -0.445416930602E+03 -0.79975E-03 -0.15369E-04 1896 0.263E-02 0.454E-02
DAV: 23 -0.445417653912E+03 -0.72331E-03 -0.13538E-04 1840 0.301E-02 0.479E-02
DAV: 24 -0.445417924445E+03 -0.27053E-03 -0.54228E-05 1760 0.176E-02 0.655E-02
DAV: 25 -0.445417975519E+03 -0.51073E-04 -0.13710E-05 1112 0.118E-02 0.289E-02
DAV: 26 -0.445418072469E+03 -0.96950E-04 -0.10605E-05 1264 0.872E-03 0.273E-02
DAV: 27 -0.445418153464E+03 -0.80995E-04 -0.21484E-05 1520 0.130E-02 0.263E-02
DAV: 28 -0.445418171110E+03 -0.17647E-04 -0.52024E-06 1000 0.901E-03 0.807E-03
DAV: 29 -0.445418189746E+03 -0.18635E-04 -0.30560E-06 1032 0.435E-03 0.311E-03
DAV: 30 -0.445418194306E+03 -0.45599E-05 -0.19143E-06 936 0.441E-03
1 F= -.44541819E+03 E0= -.44540579E+03 d E =-.372162E-01