./iterations/neb0_image03_iter31_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 0.209863332094E+04 0.20986E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138825794522E+03 -0.22375E+04 -0.21479E+04 2160 0.262E+02
DAV: 3 -0.463903771781E+03 -0.32508E+03 -0.31960E+03 1880 0.107E+02
DAV: 4 -0.477018998200E+03 -0.13115E+02 -0.13063E+02 1944 0.229E+01
DAV: 5 -0.477515829460E+03 -0.49683E+00 -0.49657E+00 2112 0.388E+00 0.433E+01
DAV: 6 -0.452238182266E+03 0.25278E+02 -0.14675E+02 2016 0.317E+01 0.419E+01
DAV: 7 -0.454103342594E+03 -0.18652E+01 -0.12942E+02 1784 0.147E+01 0.219E+01
DAV: 8 -0.447642032257E+03 0.64613E+01 -0.96919E+00 1864 0.886E+00 0.136E+01
DAV: 9 -0.446705845880E+03 0.93619E+00 -0.15702E+01 2064 0.119E+01 0.119E+01
DAV: 10 -0.445940413546E+03 0.76543E+00 -0.45212E+00 1832 0.365E+00 0.107E+01
DAV: 11 -0.445444892563E+03 0.49552E+00 -0.33785E-01 1976 0.186E+00 0.976E+00
DAV: 12 -0.444275281831E+03 0.11696E+01 -0.25359E+00 2080 0.422E+00 0.914E+00
DAV: 13 -0.444518777959E+03 -0.24350E+00 -0.10424E+01 2024 0.333E+00 0.591E+00
DAV: 14 -0.444068308021E+03 0.45047E+00 -0.51322E-01 1864 0.139E+00 0.188E+00
DAV: 15 -0.444072061471E+03 -0.37535E-02 -0.85632E-02 1904 0.668E-01 0.186E+00
DAV: 16 -0.444103836233E+03 -0.31775E-01 -0.21820E-02 1840 0.360E-01 0.239E+00
DAV: 17 -0.444077045859E+03 0.26790E-01 -0.12898E-02 2112 0.356E-01 0.399E-01
DAV: 18 -0.444099473165E+03 -0.22427E-01 -0.64890E-03 1976 0.240E-01 0.155E+00
DAV: 19 -0.444087319790E+03 0.12153E-01 -0.53086E-03 1920 0.211E-01 0.560E-01
DAV: 20 -0.444095294385E+03 -0.79746E-02 -0.19888E-03 1848 0.118E-01 0.101E-01
DAV: 21 -0.444096387458E+03 -0.10931E-02 -0.81965E-04 1888 0.691E-02 0.315E-01
DAV: 22 -0.444096288829E+03 0.98629E-04 -0.23766E-04 1888 0.473E-02 0.104E-01
DAV: 23 -0.444098806069E+03 -0.25172E-02 -0.53206E-04 1888 0.549E-02 0.912E-02
DAV: 24 -0.444099304209E+03 -0.49814E-03 -0.10691E-04 1888 0.250E-02 0.312E-02
DAV: 25 -0.444099720983E+03 -0.41677E-03 -0.69969E-05 1792 0.212E-02 0.154E-02
DAV: 26 -0.444099881571E+03 -0.16059E-03 -0.25256E-05 1432 0.124E-02 0.317E-02
DAV: 27 -0.444100050893E+03 -0.16932E-03 -0.13903E-05 1264 0.718E-03 0.145E-02
DAV: 28 -0.444100105178E+03 -0.54285E-04 -0.55873E-06 1192 0.631E-03 0.116E-02
DAV: 29 -0.444100124876E+03 -0.19698E-04 -0.41838E-06 936 0.579E-03 0.400E-03
DAV: 30 -0.444100138252E+03 -0.13376E-04 -0.17207E-06 952 0.383E-03 0.482E-03
DAV: 31 -0.444100152647E+03 -0.14396E-04 -0.16543E-06 936 0.367E-03 0.567E-03
DAV: 32 -0.444100164518E+03 -0.11871E-04 -0.58776E-07 1000 0.200E-03 0.648E-03
DAV: 33 -0.444100170266E+03 -0.57478E-05 -0.60303E-07 928 0.224E-03
1 F= -.44410017E+03 E0= -.44408689E+03 d E =-.398272E-01