iterations/neb0_image06_iter25_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 0.209327740374E+04 0.20933E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139284851789E+03 -0.22326E+04 -0.21455E+04 2136 0.262E+02
DAV: 3 -0.461324355319E+03 -0.32204E+03 -0.31862E+03 1880 0.107E+02
DAV: 4 -0.474431360521E+03 -0.13107E+02 -0.13002E+02 1952 0.228E+01
DAV: 5 -0.474895067816E+03 -0.46371E+00 -0.46197E+00 2096 0.378E+00 0.421E+01
DAV: 6 -0.445887611902E+03 0.29007E+02 -0.13424E+02 2040 0.286E+01 0.254E+01
DAV: 7 -0.445600183924E+03 0.28743E+00 -0.17336E+01 1800 0.938E+00 0.110E+01
DAV: 8 -0.445503828999E+03 0.96355E-01 -0.62510E+00 2056 0.541E+00 0.979E+00
DAV: 9 -0.445318124540E+03 0.18570E+00 -0.91690E+00 2344 0.509E+00 0.472E+00
DAV: 10 -0.445426253922E+03 -0.10813E+00 -0.11801E+00 1928 0.219E+00 0.307E+00
DAV: 11 -0.445290936771E+03 0.13532E+00 -0.14711E-01 1920 0.100E+00 0.243E+00
DAV: 12 -0.445165334136E+03 0.12560E+00 -0.20145E-01 2096 0.123E+00 0.168E+00
DAV: 13 -0.445126826331E+03 0.38508E-01 -0.46522E-02 1944 0.587E-01 0.148E+00
DAV: 14 -0.445123479011E+03 0.33473E-02 -0.64060E-03 1936 0.159E-01 0.146E+00
DAV: 15 -0.445123241781E+03 0.23723E-03 -0.24186E-04 2120 0.285E-02 0.146E+00
DAV: 16 -0.445119739505E+03 0.35023E-02 -0.30591E-04 2248 0.473E-02 0.145E+00
DAV: 17 -0.445100122497E+03 0.19617E-01 -0.18772E-02 2024 0.327E-01 0.140E+00
DAV: 18 -0.445099927024E+03 0.19547E-03 -0.66743E-02 1936 0.435E-01 0.149E+00
DAV: 19 -0.445064037830E+03 0.35889E-01 -0.18523E-02 2184 0.734E-01 0.694E-01
DAV: 20 -0.445080087147E+03 -0.16049E-01 -0.34157E-02 2168 0.537E-01 0.114E+00
DAV: 21 -0.445063513030E+03 0.16574E-01 -0.15739E-02 2008 0.378E-01 0.391E-01
DAV: 22 -0.445070460474E+03 -0.69474E-02 -0.34029E-03 2224 0.249E-01 0.661E-01
DAV: 23 -0.445066830106E+03 0.36304E-02 -0.37429E-03 2312 0.255E-01 0.376E-01
DAV: 24 -0.445068341228E+03 -0.15111E-02 -0.36825E-03 1952 0.143E-01 0.180E-01
DAV: 25 -0.445069627386E+03 -0.12862E-02 -0.49329E-03 1880 0.129E-01 0.319E-01
DAV: 26 -0.445069413007E+03 0.21438E-03 -0.21309E-04 1904 0.373E-02 0.251E-01
DAV: 27 -0.445070874512E+03 -0.14615E-02 -0.12424E-04 1968 0.502E-02 0.392E-01
DAV: 28 -0.445070296214E+03 0.57830E-03 -0.23068E-04 1992 0.619E-02 0.209E-01
DAV: 29 -0.445070394902E+03 -0.98688E-04 -0.30997E-04 1976 0.429E-02 0.969E-02
DAV: 30 -0.445070447977E+03 -0.53075E-04 -0.98329E-05 1904 0.251E-02 0.491E-02
DAV: 31 -0.445070497941E+03 -0.49963E-04 -0.13830E-05 1296 0.779E-03 0.531E-02
DAV: 32 -0.445070594635E+03 -0.96695E-04 -0.74499E-05 1864 0.222E-02 0.586E-02
DAV: 33 -0.445070678883E+03 -0.84248E-04 -0.12194E-04 1960 0.318E-02 0.670E-02
DAV: 34 -0.445070623748E+03 0.55135E-04 -0.61013E-05 1856 0.269E-02 0.190E-02
DAV: 35 -0.445070646090E+03 -0.22342E-04 -0.46499E-05 1616 0.137E-02 0.122E-02
DAV: 36 -0.445070655160E+03 -0.90698E-05 -0.10228E-05 1112 0.750E-03
1 F= -.44507066E+03 E0= -.44506304E+03 d E =-.228306E-01