iterations/neb0_image09_iter13_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 0.209585214769E+04 0.20959E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141882454197E+03 -0.22377E+04 -0.21489E+04 2144 0.262E+02
DAV: 3 -0.466258200660E+03 -0.32438E+03 -0.32094E+03 1848 0.108E+02
DAV: 4 -0.479015505160E+03 -0.12757E+02 -0.12708E+02 1976 0.227E+01
DAV: 5 -0.479465292356E+03 -0.44979E+00 -0.44957E+00 2160 0.375E+00 0.426E+01
DAV: 6 -0.447311566276E+03 0.32154E+02 -0.14328E+02 2016 0.309E+01 0.270E+01
DAV: 7 -0.448705028399E+03 -0.13935E+01 -0.67376E+01 1896 0.112E+01 0.136E+01
DAV: 8 -0.446519795232E+03 0.21852E+01 -0.78574E+00 2504 0.804E+00 0.991E+00
DAV: 9 -0.446890343610E+03 -0.37055E+00 -0.21553E+01 2048 0.458E+00 0.553E+00
DAV: 10 -0.445884812225E+03 0.10055E+01 -0.92440E-01 2232 0.420E+00 0.246E+00
DAV: 11 -0.445916205416E+03 -0.31393E-01 -0.10932E+00 1888 0.156E+00 0.232E+00
DAV: 12 -0.445923922743E+03 -0.77173E-02 -0.10225E+00 1952 0.921E-01 0.288E+00
DAV: 13 -0.445983432905E+03 -0.59510E-01 -0.17208E+00 2376 0.936E-01 0.397E+00
DAV: 14 -0.445874597811E+03 0.10884E+00 -0.29274E-01 2080 0.658E-01 0.822E-01
DAV: 15 -0.445882700688E+03 -0.81029E-02 -0.63798E-02 2040 0.384E-01 0.733E-01
DAV: 16 -0.445883425534E+03 -0.72485E-03 -0.60353E-03 1792 0.187E-01 0.316E-01
DAV: 17 -0.445885042615E+03 -0.16171E-02 -0.14257E-03 2000 0.855E-02 0.343E-01
DAV: 18 -0.445887302834E+03 -0.22602E-02 -0.30221E-03 1976 0.882E-02 0.231E-01
DAV: 19 -0.445889029766E+03 -0.17269E-02 -0.80208E-04 1856 0.756E-02 0.607E-02
DAV: 20 -0.445891103941E+03 -0.20742E-02 -0.71786E-04 2072 0.647E-02 0.529E-02
DAV: 21 -0.445892529882E+03 -0.14259E-02 -0.30378E-04 1824 0.377E-02 0.938E-02
DAV: 22 -0.445893229644E+03 -0.69976E-03 -0.19671E-04 1936 0.314E-02 0.148E-02
DAV: 23 -0.445893509377E+03 -0.27973E-03 -0.65128E-05 1672 0.181E-02 0.456E-02
DAV: 24 -0.445893675493E+03 -0.16612E-03 -0.36173E-05 1608 0.150E-02 0.298E-02
DAV: 25 -0.445893739084E+03 -0.63591E-04 -0.14775E-05 1104 0.887E-03 0.833E-03
DAV: 26 -0.445893843700E+03 -0.10462E-03 -0.13208E-05 1176 0.106E-02 0.617E-03
DAV: 27 -0.445893885982E+03 -0.42282E-04 -0.48505E-06 1056 0.454E-03 0.578E-03
DAV: 28 -0.445893896454E+03 -0.10472E-04 -0.93128E-07 936 0.310E-03 0.188E-03
DAV: 29 -0.445893917173E+03 -0.20719E-04 -0.39784E-06 1008 0.558E-03 0.381E-03
DAV: 30 -0.445893921387E+03 -0.42144E-05 -0.79285E-07 936 0.281E-03
1 F= -.44589392E+03 E0= -.44586862E+03 d E =-.759036E-01