iterations/neb0_image07_iter29_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 0.210283297877E+04 0.21028E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138389331096E+03 -0.22412E+04 -0.21526E+04 2152 0.262E+02
DAV: 3 -0.464542097315E+03 -0.32615E+03 -0.32139E+03 1872 0.108E+02
DAV: 4 -0.477377374615E+03 -0.12835E+02 -0.12787E+02 1960 0.228E+01
DAV: 5 -0.477856445609E+03 -0.47907E+00 -0.47877E+00 2080 0.384E+00 0.430E+01
DAV: 6 -0.448305792385E+03 0.29551E+02 -0.14753E+02 2024 0.320E+01 0.272E+01
DAV: 7 -0.445675784938E+03 0.26300E+01 -0.24168E+01 1848 0.114E+01 0.124E+01
DAV: 8 -0.445495750868E+03 0.18003E+00 -0.63182E+00 2000 0.581E+00 0.867E+00
DAV: 9 -0.447077475073E+03 -0.15817E+01 -0.24025E+01 2464 0.753E+00 0.747E+00
DAV: 10 -0.446400468660E+03 0.67701E+00 -0.12628E+00 1848 0.239E+00 0.625E+00
DAV: 11 -0.445290178752E+03 0.11103E+01 -0.14609E+00 2320 0.296E+00 0.376E+00
DAV: 12 -0.445158289773E+03 0.13189E+00 -0.70083E-01 1952 0.152E+00 0.122E+00
DAV: 13 -0.445169301967E+03 -0.11012E-01 -0.51823E-02 1880 0.566E-01 0.854E-01
DAV: 14 -0.445173898220E+03 -0.45963E-02 -0.19033E-02 1912 0.285E-01 0.685E-01
DAV: 15 -0.445180063642E+03 -0.61654E-02 -0.15427E-02 1920 0.304E-01 0.845E-01
DAV: 16 -0.445178608179E+03 0.14555E-02 -0.99516E-03 2056 0.418E-01 0.632E-01
DAV: 17 -0.445178488424E+03 0.11976E-03 -0.57914E-03 1864 0.156E-01 0.479E-01
DAV: 18 -0.445178500854E+03 -0.12431E-04 -0.19241E-04 2080 0.266E-02 0.503E-01
DAV: 19 -0.445177169142E+03 0.13317E-02 -0.12278E-03 2312 0.127E-01 0.185E-01
DAV: 20 -0.445181102718E+03 -0.39336E-02 -0.55557E-03 1936 0.224E-01 0.228E-01
DAV: 21 -0.445181982857E+03 -0.88014E-03 -0.13065E-03 1968 0.882E-02 0.202E-01
DAV: 22 -0.445182141025E+03 -0.15817E-03 -0.68121E-04 1904 0.633E-02 0.186E-01
DAV: 23 -0.445182274133E+03 -0.13311E-03 -0.40239E-04 1944 0.500E-02 0.913E-02
DAV: 24 -0.445182646774E+03 -0.37264E-03 -0.29425E-04 1888 0.364E-02 0.497E-02
DAV: 25 -0.445183804993E+03 -0.11582E-02 -0.28656E-04 1800 0.416E-02 0.401E-02
DAV: 26 -0.445184402178E+03 -0.59718E-03 -0.26991E-04 1888 0.417E-02 0.750E-02
DAV: 27 -0.445184568160E+03 -0.16598E-03 -0.54082E-05 1776 0.217E-02 0.550E-02
DAV: 28 -0.445184673893E+03 -0.10573E-03 -0.54699E-05 1736 0.217E-02 0.300E-02
DAV: 29 -0.445184720959E+03 -0.47065E-04 -0.14473E-05 1128 0.101E-02 0.173E-02
DAV: 30 -0.445184749088E+03 -0.28129E-04 -0.80815E-06 992 0.881E-03 0.635E-03
DAV: 31 -0.445184771815E+03 -0.22727E-04 -0.33383E-06 1064 0.470E-03 0.559E-03
DAV: 32 -0.445184784012E+03 -0.12197E-04 -0.53201E-06 936 0.569E-03 0.316E-03
DAV: 33 -0.445184787650E+03 -0.36376E-05 -0.83799E-07 936 0.257E-03
1 F= -.44518479E+03 E0= -.44517096E+03 d E =-.414894E-01