iterations/neb0_image04_iter15_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 0.208884888040E+04 0.20888E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140287373021E+03 -0.22291E+04 -0.21374E+04 2144 0.261E+02
DAV: 3 -0.465295982615E+03 -0.32501E+03 -0.32150E+03 1896 0.107E+02
DAV: 4 -0.477487039187E+03 -0.12191E+02 -0.12147E+02 1952 0.222E+01
DAV: 5 -0.477948097344E+03 -0.46106E+00 -0.46083E+00 2128 0.374E+00 0.428E+01
DAV: 6 -0.447719148754E+03 0.30229E+02 -0.14632E+02 2024 0.318E+01 0.364E+01
DAV: 7 -0.452850008501E+03 -0.51309E+01 -0.14768E+02 1864 0.149E+01 0.202E+01
DAV: 8 -0.446597547601E+03 0.62525E+01 -0.87688E+00 1800 0.922E+00 0.126E+01
DAV: 9 -0.447127687592E+03 -0.53014E+00 -0.30712E+01 2000 0.146E+01 0.203E+01
DAV: 10 -0.444608640338E+03 0.25190E+01 -0.18224E+01 1856 0.466E+00 0.885E+00
DAV: 11 -0.444270553870E+03 0.33809E+00 -0.67226E-01 2048 0.153E+00 0.856E+00
DAV: 12 -0.444029455831E+03 0.24110E+00 -0.19863E-01 1984 0.940E-01 0.651E+00
DAV: 13 -0.443983687178E+03 0.45769E-01 -0.41245E+00 2152 0.136E+00 0.106E+01
DAV: 14 -0.443667951285E+03 0.31574E+00 -0.39927E+00 2032 0.116E+00 0.482E+00
DAV: 15 -0.444210039893E+03 -0.54209E+00 -0.69949E+00 2096 0.211E+00 0.113E+01
DAV: 16 -0.443837552895E+03 0.37249E+00 -0.15392E+00 1848 0.140E+00 0.690E+00
DAV: 17 -0.443574323276E+03 0.26323E+00 -0.22199E-01 2016 0.118E+00 0.507E+00
DAV: 18 -0.443676319772E+03 -0.10200E+00 -0.26491E+00 2080 0.118E+00 0.451E+00
DAV: 19 -0.443648825254E+03 0.27495E-01 -0.22319E-01 1968 0.755E-01 0.230E+00
DAV: 20 -0.443644994670E+03 0.38306E-02 -0.79867E-02 1992 0.400E-01 0.101E+00
DAV: 21 -0.443655591865E+03 -0.10597E-01 -0.20795E-02 2048 0.285E-01 0.954E-01
DAV: 22 -0.443654676899E+03 0.91497E-03 -0.25897E-02 1912 0.196E-01 0.552E-01
DAV: 23 -0.443657270342E+03 -0.25934E-02 -0.28243E-03 1912 0.981E-02 0.349E-01
DAV: 24 -0.443660180131E+03 -0.29098E-02 -0.27341E-03 1840 0.934E-02 0.175E-01
DAV: 25 -0.443663401831E+03 -0.32217E-02 -0.11337E-03 1952 0.824E-02 0.220E-01
DAV: 26 -0.443664405407E+03 -0.10036E-02 -0.15000E-03 1984 0.545E-02 0.964E-02
DAV: 27 -0.443665431076E+03 -0.10257E-02 -0.43007E-04 1800 0.288E-02 0.693E-02
DAV: 28 -0.443666254157E+03 -0.82308E-03 -0.34063E-04 1712 0.270E-02 0.161E-01
DAV: 29 -0.443666340000E+03 -0.85843E-04 -0.34873E-04 1720 0.235E-02 0.118E-01
DAV: 30 -0.443666480003E+03 -0.14000E-03 -0.73858E-05 1440 0.175E-02 0.110E-01
DAV: 31 -0.443666539640E+03 -0.59636E-04 -0.13802E-04 1352 0.130E-02 0.579E-02
DAV: 32 -0.443666694548E+03 -0.15491E-03 -0.21477E-05 1352 0.106E-02 0.371E-02
DAV: 33 -0.443666702425E+03 -0.78778E-05 -0.57862E-06 920 0.429E-03
1 F= -.44366670E+03 E0= -.44364100E+03 d E =-.771095E-01