iterations/neb0_image08_iter12_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 0.210289934052E+04 0.21029E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.139194495420E+03 -0.22421E+04 -0.21527E+04 2160 0.262E+02
DAV: 3 -0.465548006248E+03 -0.32635E+03 -0.32286E+03 1856 0.108E+02
DAV: 4 -0.478133298209E+03 -0.12585E+02 -0.12534E+02 1928 0.227E+01
DAV: 5 -0.478635888234E+03 -0.50259E+00 -0.50236E+00 2160 0.391E+00 0.427E+01
DAV: 6 -0.447720497939E+03 0.30915E+02 -0.14536E+02 2008 0.313E+01 0.270E+01
DAV: 7 -0.446966407067E+03 0.75409E+00 -0.25968E+01 1928 0.115E+01 0.134E+01
DAV: 8 -0.447309486246E+03 -0.34308E+00 -0.75118E+00 2480 0.857E+00 0.983E+00
DAV: 9 -0.445379489599E+03 0.19300E+01 -0.21779E+00 2152 0.459E+00 0.412E+00
DAV: 10 -0.445919424176E+03 -0.53993E+00 -0.61571E+00 2040 0.373E+00 0.699E+00
DAV: 11 -0.445371391939E+03 0.54803E+00 -0.69173E-01 2256 0.275E+00 0.294E+00
DAV: 12 -0.445530388364E+03 -0.15900E+00 -0.26958E+00 2024 0.144E+00 0.554E+00
DAV: 13 -0.445340916719E+03 0.18947E+00 -0.21746E+00 2328 0.146E+00 0.179E+00
DAV: 14 -0.445386759991E+03 -0.45843E-01 -0.66519E-02 1912 0.512E-01 0.229E+00
DAV: 15 -0.445346019591E+03 0.40740E-01 -0.88338E-02 2080 0.598E-01 0.487E-01
DAV: 16 -0.445353162947E+03 -0.71434E-02 -0.15623E-02 1896 0.252E-01 0.504E-01
DAV: 17 -0.445353002507E+03 0.16044E-03 -0.26519E-03 2176 0.138E-01 0.305E-01
DAV: 18 -0.445354590163E+03 -0.15877E-02 -0.45317E-03 2024 0.155E-01 0.271E-01
DAV: 19 -0.445356595636E+03 -0.20055E-02 -0.76650E-04 1848 0.745E-02 0.179E-01
DAV: 20 -0.445358433691E+03 -0.18381E-02 -0.10652E-03 1848 0.694E-02 0.735E-02
DAV: 21 -0.445359956372E+03 -0.15227E-02 -0.35329E-04 1904 0.408E-02 0.130E-01
DAV: 22 -0.445360821431E+03 -0.86506E-03 -0.30187E-04 1952 0.513E-02 0.324E-02
DAV: 23 -0.445361219083E+03 -0.39765E-03 -0.18401E-04 1880 0.311E-02 0.667E-02
DAV: 24 -0.445361390412E+03 -0.17133E-03 -0.33622E-05 1504 0.165E-02 0.510E-02
DAV: 25 -0.445361481426E+03 -0.91013E-04 -0.72110E-05 1568 0.204E-02 0.307E-02
DAV: 26 -0.445361575216E+03 -0.93790E-04 -0.17988E-05 1216 0.917E-03 0.423E-03
DAV: 27 -0.445361597433E+03 -0.22217E-04 -0.23380E-06 936 0.339E-03 0.319E-03
DAV: 28 -0.445361620011E+03 -0.22578E-04 -0.14022E-06 992 0.313E-03 0.692E-03
DAV: 29 -0.445361645793E+03 -0.25782E-04 -0.25452E-06 1032 0.350E-03 0.693E-03
DAV: 30 -0.445361653001E+03 -0.72086E-05 -0.76716E-07 936 0.222E-03
1 F= -.44536165E+03 E0= -.44534060E+03 d E =-.631703E-01