iterations/neb0_image08_iter26_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 0.210476144568E+04 0.21048E+04 -0.11606E+05 1696 0.105E+03
DAV: 2 -0.141021096523E+03 -0.22458E+04 -0.21563E+04 2160 0.262E+02
DAV: 3 -0.466585279467E+03 -0.32556E+03 -0.32227E+03 1856 0.108E+02
DAV: 4 -0.478871591379E+03 -0.12286E+02 -0.12235E+02 1944 0.224E+01
DAV: 5 -0.479339316039E+03 -0.46772E+00 -0.46749E+00 2168 0.381E+00 0.429E+01
DAV: 6 -0.447620869314E+03 0.31718E+02 -0.14501E+02 1984 0.312E+01 0.271E+01
DAV: 7 -0.447737785090E+03 -0.11692E+00 -0.39991E+01 1848 0.112E+01 0.135E+01
DAV: 8 -0.447145448974E+03 0.59234E+00 -0.79312E+00 2472 0.808E+00 0.994E+00
DAV: 9 -0.445827425740E+03 0.13180E+01 -0.76511E+00 2048 0.452E+00 0.573E+00
DAV: 10 -0.446424774374E+03 -0.59735E+00 -0.65340E+00 2200 0.443E+00 0.648E+00
DAV: 11 -0.445639047783E+03 0.78573E+00 -0.58765E-01 1896 0.219E+00 0.349E+00
DAV: 12 -0.445673201732E+03 -0.34154E-01 -0.20717E+00 2016 0.178E+00 0.448E+00
DAV: 13 -0.445580206434E+03 0.92995E-01 -0.10038E+00 1872 0.970E-01 0.112E+00
DAV: 14 -0.445595250413E+03 -0.15044E-01 -0.85825E-02 1816 0.365E-01 0.136E+00
DAV: 15 -0.445612140283E+03 -0.16890E-01 -0.35873E-02 1920 0.386E-01 0.203E+00
DAV: 16 -0.445589413895E+03 0.22726E-01 -0.71253E-02 2160 0.314E-01 0.668E-01
DAV: 17 -0.445593093525E+03 -0.36796E-02 -0.15257E-02 1944 0.201E-01 0.245E-01
DAV: 18 -0.445595847416E+03 -0.27539E-02 -0.19544E-03 1912 0.130E-01 0.240E-01
DAV: 19 -0.445596838403E+03 -0.99099E-03 -0.57861E-03 1936 0.120E-01 0.278E-01
DAV: 20 -0.445597504832E+03 -0.66643E-03 -0.65555E-04 1960 0.927E-02 0.159E-01
DAV: 21 -0.445599493655E+03 -0.19888E-02 -0.14779E-03 1976 0.952E-02 0.641E-02
DAV: 22 -0.445601062824E+03 -0.15692E-02 -0.45660E-04 1920 0.511E-02 0.141E-01
DAV: 23 -0.445601809306E+03 -0.74648E-03 -0.99435E-04 1928 0.509E-02 0.990E-02
DAV: 24 -0.445602236996E+03 -0.42769E-03 -0.13562E-04 1792 0.295E-02 0.281E-02
DAV: 25 -0.445602451716E+03 -0.21472E-03 -0.78789E-05 1736 0.224E-02 0.975E-03
DAV: 26 -0.445602535215E+03 -0.83499E-04 -0.94327E-06 1072 0.775E-03 0.103E-02
DAV: 27 -0.445602606352E+03 -0.71137E-04 -0.63771E-06 1128 0.613E-03 0.849E-03
DAV: 28 -0.445602642064E+03 -0.35712E-04 -0.25573E-06 968 0.530E-03 0.336E-03
DAV: 29 -0.445602667678E+03 -0.25614E-04 -0.21818E-06 1032 0.311E-03 0.355E-03
DAV: 30 -0.445602678325E+03 -0.10647E-04 -0.55538E-07 936 0.186E-03 0.192E-03
DAV: 31 -0.445602688528E+03 -0.10202E-04 -0.66446E-07 968 0.195E-03 0.582E-03
DAV: 32 -0.445602693072E+03 -0.45447E-05 -0.34221E-07 936 0.147E-03
1 F= -.44560269E+03 E0= -.44557799E+03 d E =-.741012E-01