iterations/neb0_image08_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 0.209992815287E+04 0.20999E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138174691960E+03 -0.22381E+04 -0.21480E+04 2144 0.262E+02
DAV: 3 -0.465763204142E+03 -0.32759E+03 -0.32420E+03 1864 0.108E+02
DAV: 4 -0.478270095278E+03 -0.12507E+02 -0.12457E+02 1944 0.226E+01
DAV: 5 -0.478752111345E+03 -0.48202E+00 -0.48180E+00 2184 0.386E+00 0.426E+01
DAV: 6 -0.447631556455E+03 0.31121E+02 -0.14497E+02 2008 0.311E+01 0.270E+01
DAV: 7 -0.447421230134E+03 0.21033E+00 -0.30901E+01 1920 0.116E+01 0.135E+01
DAV: 8 -0.447069602871E+03 0.35163E+00 -0.76311E+00 2480 0.838E+00 0.989E+00
DAV: 9 -0.445527539872E+03 0.15421E+01 -0.60490E+00 2048 0.459E+00 0.448E+00
DAV: 10 -0.446014235009E+03 -0.48670E+00 -0.77286E+00 2080 0.379E+00 0.608E+00
DAV: 11 -0.445396639359E+03 0.61760E+00 -0.21779E+00 2168 0.235E+00 0.106E+00
DAV: 12 -0.445431669839E+03 -0.35030E-01 -0.18856E-01 1920 0.940E-01 0.124E+00
DAV: 13 -0.445429763970E+03 0.19059E-02 -0.81231E-02 1864 0.468E-01 0.699E-01
DAV: 14 -0.445440665003E+03 -0.10901E-01 -0.58691E-02 2232 0.377E-01 0.108E+00
DAV: 15 -0.445442425568E+03 -0.17606E-02 -0.10268E-01 2248 0.352E-01 0.111E+00
DAV: 16 -0.445436348332E+03 0.60772E-02 -0.14139E-02 1904 0.197E-01 0.158E-01
DAV: 17 -0.445439451861E+03 -0.31035E-02 -0.23785E-03 1976 0.114E-01 0.913E-02
DAV: 18 -0.445441259038E+03 -0.18072E-02 -0.53326E-04 1928 0.593E-02 0.157E-01
DAV: 19 -0.445443343374E+03 -0.20843E-02 -0.48369E-04 1776 0.441E-02 0.694E-02
DAV: 20 -0.445445213334E+03 -0.18700E-02 -0.75803E-04 2000 0.499E-02 0.107E-01
DAV: 21 -0.445446496318E+03 -0.12830E-02 -0.11653E-03 2192 0.632E-02 0.187E-01
DAV: 22 -0.445446826254E+03 -0.32994E-03 -0.82016E-04 1968 0.447E-02 0.802E-02
DAV: 23 -0.445447027956E+03 -0.20170E-03 -0.10159E-04 1744 0.201E-02 0.595E-02
DAV: 24 -0.445447103285E+03 -0.75328E-04 -0.40974E-05 1208 0.101E-02 0.127E-02
DAV: 25 -0.445447208301E+03 -0.10502E-03 -0.91848E-06 1168 0.888E-03 0.483E-03
DAV: 26 -0.445447257893E+03 -0.49592E-04 -0.11852E-05 1032 0.848E-03 0.122E-02
DAV: 27 -0.445447281564E+03 -0.23671E-04 -0.27245E-06 952 0.418E-03 0.771E-03
DAV: 28 -0.445447296551E+03 -0.14987E-04 -0.35408E-06 992 0.458E-03 0.360E-03
DAV: 29 -0.445447301063E+03 -0.45121E-05 -0.61825E-07 936 0.194E-03
1 F= -.44544730E+03 E0= -.44542410E+03 d E =-.696097E-01