iterations/neb0_image04_iter2_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 0.209728262465E+04 0.20973E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.138728380447E+03 -0.22360E+04 -0.21480E+04 2152 0.262E+02
DAV: 3 -0.464317916191E+03 -0.32559E+03 -0.32199E+03 1888 0.108E+02
DAV: 4 -0.476585352951E+03 -0.12267E+02 -0.12222E+02 1952 0.223E+01
DAV: 5 -0.477055187530E+03 -0.46983E+00 -0.46954E+00 2128 0.380E+00 0.435E+01
DAV: 6 -0.445880275451E+03 0.31175E+02 -0.14791E+02 2040 0.319E+01 0.333E+01
DAV: 7 -0.449077634982E+03 -0.31974E+01 -0.83295E+01 1864 0.155E+01 0.185E+01
DAV: 8 -0.442985738380E+03 0.60919E+01 -0.83676E+00 2040 0.110E+01 0.110E+01
DAV: 9 -0.451139341818E+03 -0.81536E+01 -0.54846E+01 2144 0.143E+01 0.347E+01
DAV: 10 -0.443102142281E+03 0.80372E+01 -0.17337E+01 1792 0.455E+00 0.936E+00
DAV: 11 -0.443185028122E+03 -0.82886E-01 -0.82777E+00 1992 0.214E+00 0.135E+01
DAV: 12 -0.442444145100E+03 0.74088E+00 -0.32434E+00 1960 0.126E+00 0.705E+00
DAV: 13 -0.442041900796E+03 0.40224E+00 -0.46584E-01 2008 0.179E+00 0.358E+00
DAV: 14 -0.442704867739E+03 -0.66297E+00 -0.59998E+00 2176 0.261E+00 0.797E+00
DAV: 15 -0.441940897460E+03 0.76397E+00 -0.28022E-01 1936 0.160E+00 0.261E+00
DAV: 16 -0.442005709531E+03 -0.64812E-01 -0.70474E-01 2080 0.950E-01 0.282E+00
DAV: 17 -0.441990890209E+03 0.14819E-01 -0.71898E-02 1816 0.533E-01 0.156E+00
DAV: 18 -0.441994529194E+03 -0.36390E-02 -0.93167E-02 2064 0.337E-01 0.668E-01
DAV: 19 -0.442005511863E+03 -0.10983E-01 -0.11386E-02 1864 0.169E-01 0.253E-01
DAV: 20 -0.442008493861E+03 -0.29820E-02 -0.23097E-03 2272 0.103E-01 0.230E-01
DAV: 21 -0.442011187327E+03 -0.26935E-02 -0.40364E-03 1944 0.899E-02 0.141E-01
DAV: 22 -0.442014437511E+03 -0.32502E-02 -0.11257E-03 1880 0.658E-02 0.161E-01
DAV: 23 -0.442015996218E+03 -0.15587E-02 -0.24124E-03 1920 0.584E-02 0.170E-01
DAV: 24 -0.442016390134E+03 -0.39392E-03 -0.32843E-04 1896 0.304E-02 0.795E-02
DAV: 25 -0.442017950197E+03 -0.15601E-02 -0.38204E-04 1704 0.332E-02 0.359E-02
DAV: 26 -0.442018240374E+03 -0.29018E-03 -0.10553E-04 1848 0.192E-02 0.269E-02
DAV: 27 -0.442018360616E+03 -0.12024E-03 -0.22912E-05 1296 0.119E-02 0.289E-02
DAV: 28 -0.442018588342E+03 -0.22773E-03 -0.11734E-04 1504 0.176E-02 0.274E-02
DAV: 29 -0.442018651779E+03 -0.63437E-04 -0.13941E-05 1144 0.839E-03 0.301E-02
DAV: 30 -0.442018659840E+03 -0.80603E-05 -0.76089E-06 936 0.669E-03
1 F= -.44201866E+03 E0= -.44200331E+03 d E =-.460411E-01