iterations/neb0_image09_iter1_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 0.210224642541E+04 0.21022E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.141576776764E+03 -0.22438E+04 -0.21539E+04 2160 0.262E+02
DAV: 3 -0.466220878856E+03 -0.32464E+03 -0.32134E+03 1840 0.108E+02
DAV: 4 -0.478883275011E+03 -0.12662E+02 -0.12615E+02 1968 0.227E+01
DAV: 5 -0.479335618670E+03 -0.45234E+00 -0.45211E+00 2120 0.376E+00 0.430E+01
DAV: 6 -0.446905970987E+03 0.32430E+02 -0.14359E+02 2016 0.309E+01 0.272E+01
DAV: 7 -0.448330309118E+03 -0.14243E+01 -0.67510E+01 1872 0.112E+01 0.136E+01
DAV: 8 -0.446068679774E+03 0.22616E+01 -0.77448E+00 2512 0.803E+00 0.983E+00
DAV: 9 -0.446476444961E+03 -0.40777E+00 -0.21220E+01 2016 0.465E+00 0.549E+00
DAV: 10 -0.445470972735E+03 0.10055E+01 -0.88572E-01 2192 0.410E+00 0.236E+00
DAV: 11 -0.445502822703E+03 -0.31850E-01 -0.10489E+00 1888 0.150E+00 0.227E+00
DAV: 12 -0.445515555463E+03 -0.12733E-01 -0.10724E+00 1976 0.951E-01 0.293E+00
DAV: 13 -0.445551104604E+03 -0.35549E-01 -0.15954E+00 2376 0.966E-01 0.361E+00
DAV: 14 -0.445462782788E+03 0.88322E-01 -0.33254E-01 2016 0.641E-01 0.582E-01
DAV: 15 -0.445470868644E+03 -0.80859E-02 -0.42717E-02 2016 0.341E-01 0.575E-01
DAV: 16 -0.445471835063E+03 -0.96642E-03 -0.56305E-03 1848 0.159E-01 0.177E-01
DAV: 17 -0.445474380408E+03 -0.25453E-02 -0.18263E-03 2024 0.835E-02 0.389E-01
DAV: 18 -0.445476557224E+03 -0.21768E-02 -0.56935E-03 1920 0.973E-02 0.221E-01
DAV: 19 -0.445478306277E+03 -0.17491E-02 -0.72078E-04 1864 0.663E-02 0.140E-01
DAV: 20 -0.445480189936E+03 -0.18837E-02 -0.94101E-04 1976 0.610E-02 0.527E-02
DAV: 21 -0.445481551062E+03 -0.13611E-02 -0.20208E-04 1784 0.293E-02 0.463E-02
DAV: 22 -0.445482294030E+03 -0.74297E-03 -0.16441E-04 1984 0.285E-02 0.153E-02
DAV: 23 -0.445482486240E+03 -0.19221E-03 -0.47551E-05 1608 0.151E-02 0.318E-02
DAV: 24 -0.445482601280E+03 -0.11504E-03 -0.18230E-05 1192 0.107E-02 0.326E-02
DAV: 25 -0.445482667259E+03 -0.65978E-04 -0.26010E-05 1112 0.989E-03 0.617E-03
DAV: 26 -0.445482759774E+03 -0.92515E-04 -0.11867E-05 1184 0.839E-03 0.563E-03
DAV: 27 -0.445482789124E+03 -0.29350E-04 -0.27298E-06 976 0.395E-03 0.292E-03
DAV: 28 -0.445482803686E+03 -0.14562E-04 -0.13108E-06 952 0.311E-03 0.254E-03
DAV: 29 -0.445482819805E+03 -0.16119E-04 -0.13055E-06 976 0.254E-03 0.155E-03
DAV: 30 -0.445482826306E+03 -0.65002E-05 -0.42993E-07 936 0.124E-03
1 F= -.44548283E+03 E0= -.44545820E+03 d E =-.738708E-01