iterations/neb0_image09_iter7_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 0.209961453788E+04 0.20996E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141870403187E+03 -0.22415E+04 -0.21518E+04 2152 0.262E+02
DAV: 3 -0.466129974220E+03 -0.32426E+03 -0.32085E+03 1840 0.108E+02
DAV: 4 -0.478977796633E+03 -0.12848E+02 -0.12799E+02 1984 0.228E+01
DAV: 5 -0.479426850397E+03 -0.44905E+00 -0.44882E+00 2128 0.374E+00 0.428E+01
DAV: 6 -0.447282954740E+03 0.32144E+02 -0.14337E+02 2008 0.309E+01 0.271E+01
DAV: 7 -0.448563294680E+03 -0.12803E+01 -0.65865E+01 1880 0.111E+01 0.136E+01
DAV: 8 -0.446483159937E+03 0.20801E+01 -0.76204E+00 2496 0.800E+00 0.993E+00
DAV: 9 -0.446757292867E+03 -0.27413E+00 -0.20704E+01 2032 0.462E+00 0.554E+00
DAV: 10 -0.445814776251E+03 0.94252E+00 -0.93874E-01 2208 0.418E+00 0.295E+00
DAV: 11 -0.445838203463E+03 -0.23427E-01 -0.14679E+00 1880 0.163E+00 0.284E+00
DAV: 12 -0.445825144438E+03 0.13059E-01 -0.12802E+00 1944 0.998E-01 0.274E+00
DAV: 13 -0.445852147784E+03 -0.27003E-01 -0.13034E+00 2256 0.847E-01 0.327E+00
DAV: 14 -0.445781135924E+03 0.71012E-01 -0.37570E-01 2096 0.631E-01 0.321E-01
DAV: 15 -0.445793257330E+03 -0.12121E-01 -0.29739E-02 1976 0.328E-01 0.899E-01
DAV: 16 -0.445790393872E+03 0.28635E-02 -0.63485E-03 1800 0.157E-01 0.396E-01
DAV: 17 -0.445791788557E+03 -0.13947E-02 -0.17112E-03 1976 0.895E-02 0.245E-01
DAV: 18 -0.445794753926E+03 -0.29654E-02 -0.35507E-03 2040 0.815E-02 0.279E-01
DAV: 19 -0.445796318937E+03 -0.15650E-02 -0.11151E-03 1872 0.772E-02 0.690E-02
DAV: 20 -0.445798379108E+03 -0.20602E-02 -0.78954E-04 2056 0.677E-02 0.365E-02
DAV: 21 -0.445799399132E+03 -0.10200E-02 -0.20182E-04 1872 0.334E-02 0.700E-02
DAV: 22 -0.445799987736E+03 -0.58860E-03 -0.15869E-04 1928 0.280E-02 0.253E-02
DAV: 23 -0.445800279102E+03 -0.29137E-03 -0.77111E-05 1648 0.179E-02 0.468E-02
DAV: 24 -0.445800393734E+03 -0.11463E-03 -0.34984E-05 1472 0.161E-02 0.251E-02
DAV: 25 -0.445800483594E+03 -0.89861E-04 -0.14139E-05 1136 0.863E-03 0.541E-03
DAV: 26 -0.445800554479E+03 -0.70885E-04 -0.96911E-06 1104 0.879E-03 0.368E-03
DAV: 27 -0.445800596342E+03 -0.41863E-04 -0.42579E-06 1104 0.455E-03 0.108E-02
DAV: 28 -0.445800609360E+03 -0.13018E-04 -0.19775E-06 936 0.348E-03 0.282E-03
DAV: 29 -0.445800624161E+03 -0.14801E-04 -0.12537E-06 976 0.260E-03 0.184E-03
DAV: 30 -0.445800632087E+03 -0.79264E-05 -0.74547E-07 936 0.215E-03
1 F= -.44580063E+03 E0= -.44577629E+03 d E =-.730360E-01