iterations/neb0_image01_iter25_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 0.208855614935E+04 0.20886E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140579486278E+03 -0.22291E+04 -0.21400E+04 2136 0.261E+02
DAV: 3 -0.461845630998E+03 -0.32127E+03 -0.31748E+03 1904 0.107E+02
DAV: 4 -0.475581073732E+03 -0.13735E+02 -0.13532E+02 1984 0.228E+01
DAV: 5 -0.476049840150E+03 -0.46877E+00 -0.46849E+00 2128 0.375E+00 0.435E+01
DAV: 6 -0.457583371831E+03 0.18466E+02 -0.20336E+02 2024 0.317E+01 0.411E+01
DAV: 7 -0.450390850958E+03 0.71925E+01 -0.42623E+01 1784 0.138E+01 0.200E+01
DAV: 8 -0.445812761593E+03 0.45781E+01 -0.81434E+00 1816 0.706E+00 0.114E+01
DAV: 9 -0.446293887058E+03 -0.48113E+00 -0.20598E+01 2016 0.832E+00 0.975E+00
DAV: 10 -0.445808304083E+03 0.48558E+00 -0.15545E+00 1832 0.225E+00 0.845E+00
DAV: 11 -0.445101023868E+03 0.70728E+00 -0.47470E-01 1936 0.163E+00 0.647E+00
DAV: 12 -0.445246260279E+03 -0.14524E+00 -0.54157E+00 2080 0.323E+00 0.142E+01
DAV: 13 -0.444348804349E+03 0.89746E+00 -0.51485E+00 1952 0.242E+00 0.352E+00
DAV: 14 -0.444438658615E+03 -0.89854E-01 -0.16238E-01 1928 0.875E-01 0.289E+00
DAV: 15 -0.444372177253E+03 0.66481E-01 -0.18538E-02 1976 0.402E-01 0.163E+00
DAV: 16 -0.444365128125E+03 0.70491E-02 -0.58908E-03 1984 0.251E-01 0.714E-01
DAV: 17 -0.444379458443E+03 -0.14330E-01 -0.79377E-03 1920 0.297E-01 0.130E+00
DAV: 18 -0.444368119797E+03 0.11339E-01 -0.14464E-01 1880 0.329E-01 0.298E-01
DAV: 19 -0.444378066390E+03 -0.99466E-02 -0.31780E-03 1880 0.123E-01 0.266E-01
DAV: 20 -0.444377880838E+03 0.18555E-03 -0.71713E-04 1920 0.682E-02 0.178E-01
DAV: 21 -0.444378988373E+03 -0.11075E-02 -0.50481E-04 2272 0.773E-02 0.829E-02
DAV: 22 -0.444380366039E+03 -0.13777E-02 -0.39057E-04 1776 0.469E-02 0.654E-02
DAV: 23 -0.444380656310E+03 -0.29027E-03 -0.78838E-05 1920 0.244E-02 0.639E-02
DAV: 24 -0.444381030779E+03 -0.37447E-03 -0.19235E-04 1856 0.359E-02 0.488E-02
DAV: 25 -0.444381261707E+03 -0.23093E-03 -0.23848E-05 1424 0.139E-02 0.324E-02
DAV: 26 -0.444381626334E+03 -0.36463E-03 -0.37808E-05 1616 0.144E-02 0.194E-02
DAV: 27 -0.444381841952E+03 -0.21562E-03 -0.51366E-05 1728 0.172E-02 0.162E-02
DAV: 28 -0.444381861109E+03 -0.19156E-04 -0.10106E-05 1032 0.733E-03 0.157E-02
DAV: 29 -0.444381886917E+03 -0.25808E-04 -0.49366E-06 1096 0.498E-03 0.128E-02
DAV: 30 -0.444381909982E+03 -0.23065E-04 -0.43568E-06 1104 0.553E-03 0.515E-03
DAV: 31 -0.444381919876E+03 -0.98940E-05 -0.19430E-06 936 0.323E-03
1 F= -.44438192E+03 E0= -.44437535E+03 d E =-.197048E-01