iterations/neb0_image04_iter43_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 0.208660889583E+04 0.20866E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.140467961423E+03 -0.22271E+04 -0.21374E+04 2128 0.261E+02
DAV: 3 -0.465557433025E+03 -0.32509E+03 -0.32162E+03 1856 0.107E+02
DAV: 4 -0.478058403196E+03 -0.12501E+02 -0.12450E+02 1976 0.225E+01
DAV: 5 -0.478518600613E+03 -0.46020E+00 -0.45998E+00 2168 0.375E+00 0.428E+01
DAV: 6 -0.447886246160E+03 0.30632E+02 -0.14763E+02 2056 0.320E+01 0.384E+01
DAV: 7 -0.454242957150E+03 -0.63567E+01 -0.28669E+02 1888 0.140E+01 0.208E+01
DAV: 8 -0.448248691742E+03 0.59943E+01 -0.89175E+00 1784 0.769E+00 0.129E+01
DAV: 9 -0.446392555339E+03 0.18561E+01 -0.25414E+01 2024 0.115E+01 0.966E+00
DAV: 10 -0.445544406246E+03 0.84815E+00 -0.39748E+00 1896 0.353E+00 0.101E+01
DAV: 11 -0.444883164433E+03 0.66124E+00 -0.59655E-01 1960 0.178E+00 0.728E+00
DAV: 12 -0.444943414451E+03 -0.60250E-01 -0.91155E+00 2160 0.374E+00 0.706E+00
DAV: 13 -0.444353444210E+03 0.58997E+00 -0.73144E-01 2024 0.299E+00 0.542E+00
DAV: 14 -0.444174163762E+03 0.17928E+00 -0.15038E+00 1872 0.126E+00 0.200E+00
DAV: 15 -0.444297850066E+03 -0.12369E+00 -0.32661E-01 1952 0.866E-01 0.555E+00
DAV: 16 -0.444210478997E+03 0.87371E-01 -0.27423E-02 1840 0.358E-01 0.465E+00
DAV: 17 -0.444133854559E+03 0.76624E-01 -0.48000E-01 2320 0.524E-01 0.129E+00
DAV: 18 -0.444173462645E+03 -0.39608E-01 -0.60341E-02 1952 0.412E-01 0.966E-01
DAV: 19 -0.444187290848E+03 -0.13828E-01 -0.77579E-03 1904 0.222E-01 0.106E+00
DAV: 20 -0.444189085372E+03 -0.17945E-02 -0.69592E-02 2352 0.316E-01 0.869E-01
DAV: 21 -0.444192569870E+03 -0.34845E-02 -0.50221E-03 1800 0.165E-01 0.845E-01
DAV: 22 -0.444191798757E+03 0.77111E-03 -0.72156E-04 2000 0.615E-02 0.755E-01
DAV: 23 -0.444191943230E+03 -0.14447E-03 -0.11087E-02 2168 0.150E-01 0.133E-01
DAV: 24 -0.444195250622E+03 -0.33074E-02 -0.10504E-03 1792 0.655E-02 0.463E-02
DAV: 25 -0.444196569749E+03 -0.13191E-02 -0.63213E-04 1752 0.291E-02 0.168E-01
DAV: 26 -0.444197099556E+03 -0.52981E-03 -0.26952E-04 1744 0.265E-02 0.121E-01
DAV: 27 -0.444197331605E+03 -0.23205E-03 -0.40532E-05 1424 0.173E-02 0.148E-01
DAV: 28 -0.444197429330E+03 -0.97724E-04 -0.12815E-04 1872 0.298E-02 0.157E-01
DAV: 29 -0.444197395977E+03 0.33353E-04 -0.86292E-05 1304 0.162E-02 0.878E-02
DAV: 30 -0.444197520472E+03 -0.12450E-03 -0.72052E-05 1592 0.154E-02 0.294E-02
DAV: 31 -0.444197614311E+03 -0.93838E-04 -0.18513E-05 1104 0.794E-03 0.707E-03
DAV: 32 -0.444197656555E+03 -0.42245E-04 -0.10381E-05 1064 0.574E-03 0.210E-02
DAV: 33 -0.444197671413E+03 -0.14858E-04 -0.41297E-06 952 0.428E-03 0.129E-02
DAV: 34 -0.444197675601E+03 -0.41882E-05 -0.13121E-06 936 0.238E-03
1 F= -.44419768E+03 E0= -.44418283E+03 d E =-.445292E-01