iterations/neb0_image07_iter50_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 0.210150133440E+04 0.21015E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.137757557363E+03 -0.22393E+04 -0.21466E+04 2144 0.262E+02
DAV: 3 -0.464300354390E+03 -0.32654E+03 -0.32160E+03 1880 0.108E+02
DAV: 4 -0.477081604532E+03 -0.12781E+02 -0.12732E+02 1944 0.228E+01
DAV: 5 -0.477576167253E+03 -0.49456E+00 -0.49432E+00 2136 0.389E+00 0.428E+01
DAV: 6 -0.448702800608E+03 0.28873E+02 -0.14821E+02 2040 0.317E+01 0.271E+01
DAV: 7 -0.445862484886E+03 0.28403E+01 -0.26112E+01 1864 0.118E+01 0.127E+01
DAV: 8 -0.446323344161E+03 -0.46086E+00 -0.11542E+01 2008 0.691E+00 0.989E+00
DAV: 9 -0.446431497948E+03 -0.10815E+00 -0.59791E+00 2400 0.714E+00 0.644E+00
DAV: 10 -0.446052353233E+03 0.37914E+00 -0.14535E+00 1768 0.241E+00 0.544E+00
DAV: 11 -0.445616557232E+03 0.43580E+00 -0.37328E-01 2296 0.192E+00 0.424E+00
DAV: 12 -0.445337611899E+03 0.27895E+00 -0.19888E+00 2304 0.226E+00 0.177E+00
DAV: 13 -0.445359728238E+03 -0.22116E-01 -0.14377E-01 1888 0.984E-01 0.103E+00
DAV: 14 -0.445351936548E+03 0.77917E-02 -0.18816E-02 1904 0.273E-01 0.718E-01
DAV: 15 -0.445350625817E+03 0.13107E-02 -0.60670E-03 1928 0.221E-01 0.266E-01
DAV: 16 -0.445354192313E+03 -0.35665E-02 -0.31729E-03 1928 0.140E-01 0.174E-01
DAV: 17 -0.445356006398E+03 -0.18141E-02 -0.13082E-03 1968 0.840E-02 0.241E-01
DAV: 18 -0.445358087877E+03 -0.20815E-02 -0.11021E-03 2296 0.129E-01 0.295E-01
DAV: 19 -0.445358919468E+03 -0.83159E-03 -0.53724E-04 1896 0.691E-02 0.699E-02
DAV: 20 -0.445360611997E+03 -0.16925E-02 -0.47964E-04 1944 0.549E-02 0.370E-02
DAV: 21 -0.445361726997E+03 -0.11150E-02 -0.21217E-04 2056 0.326E-02 0.663E-02
DAV: 22 -0.445362330153E+03 -0.60316E-03 -0.10442E-04 1880 0.276E-02 0.307E-02
DAV: 23 -0.445362722491E+03 -0.39234E-03 -0.86339E-05 1832 0.194E-02 0.259E-02
DAV: 24 -0.445362873681E+03 -0.15119E-03 -0.30726E-05 1584 0.159E-02 0.195E-02
DAV: 25 -0.445362902597E+03 -0.28916E-04 -0.30342E-05 1392 0.148E-02 0.246E-02
DAV: 26 -0.445362930719E+03 -0.28122E-04 -0.57243E-06 1040 0.827E-03 0.188E-02
DAV: 27 -0.445362959044E+03 -0.28324E-04 -0.88482E-06 1112 0.744E-03 0.708E-03
DAV: 28 -0.445362971944E+03 -0.12900E-04 -0.21604E-06 936 0.385E-03 0.410E-03
DAV: 29 -0.445362981563E+03 -0.96197E-05 -0.10410E-06 952 0.313E-03
1 F= -.44536298E+03 E0= -.44535157E+03 d E =-.342261E-01