./iterations/neb0_image04_iter50_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 0.208810140745E+04 0.20881E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141429435013E+03 -0.22295E+04 -0.21389E+04 2136 0.261E+02
DAV: 3 -0.465881164832E+03 -0.32445E+03 -0.32101E+03 1864 0.107E+02
DAV: 4 -0.478224262993E+03 -0.12343E+02 -0.12294E+02 1952 0.224E+01
DAV: 5 -0.478687571335E+03 -0.46331E+00 -0.46306E+00 2128 0.377E+00 0.430E+01
DAV: 6 -0.447825053155E+03 0.30863E+02 -0.14653E+02 2016 0.317E+01 0.381E+01
DAV: 7 -0.454319176010E+03 -0.64941E+01 -0.28956E+02 1904 0.140E+01 0.209E+01
DAV: 8 -0.448228177155E+03 0.60910E+01 -0.87625E+00 1792 0.787E+00 0.129E+01
DAV: 9 -0.446294943941E+03 0.19332E+01 -0.23992E+01 2024 0.121E+01 0.957E+00
DAV: 10 -0.445569755325E+03 0.72519E+00 -0.47368E+00 1880 0.381E+00 0.104E+01
DAV: 11 -0.444815513124E+03 0.75424E+00 -0.84461E-01 1968 0.188E+00 0.707E+00
DAV: 12 -0.444927029634E+03 -0.11152E+00 -0.85718E+00 2200 0.345E+00 0.698E+00
DAV: 13 -0.444630702264E+03 0.29633E+00 -0.98224E-01 2168 0.323E+00 0.719E+00
DAV: 14 -0.444202572236E+03 0.42813E+00 -0.17650E+00 1880 0.146E+00 0.236E+00
DAV: 15 -0.444229280278E+03 -0.26708E-01 -0.19392E-01 1840 0.562E-01 0.974E-01
DAV: 16 -0.444415240482E+03 -0.18596E+00 -0.86369E-01 2152 0.739E-01 0.632E+00
DAV: 17 -0.444195345392E+03 0.21990E+00 -0.45026E-01 2008 0.843E-01 0.215E+00
DAV: 18 -0.444249409195E+03 -0.54064E-01 -0.25953E-01 2032 0.739E-01 0.206E+00
DAV: 19 -0.444253007954E+03 -0.35988E-02 -0.23262E-02 1920 0.432E-01 0.151E+00
DAV: 20 -0.444242880634E+03 0.10127E-01 -0.20293E-02 1968 0.316E-01 0.890E-01
DAV: 21 -0.444247496652E+03 -0.46160E-02 -0.61194E-03 1768 0.128E-01 0.752E-01
DAV: 22 -0.444247140195E+03 0.35646E-03 -0.51994E-03 2016 0.142E-01 0.476E-01
DAV: 23 -0.444250501738E+03 -0.33615E-02 -0.83388E-03 2168 0.172E-01 0.164E-01
DAV: 24 -0.444253354067E+03 -0.28523E-02 -0.26769E-03 1784 0.104E-01 0.332E-01
DAV: 25 -0.444253871120E+03 -0.51705E-03 -0.27618E-04 2016 0.358E-02 0.331E-01
DAV: 26 -0.444254280792E+03 -0.40967E-03 -0.10461E-03 1968 0.637E-02 0.110E-01
DAV: 27 -0.444255063142E+03 -0.78235E-03 -0.52798E-04 1896 0.438E-02 0.324E-02
DAV: 28 -0.444255291584E+03 -0.22844E-03 -0.45679E-05 1352 0.148E-02 0.528E-02
DAV: 29 -0.444255548249E+03 -0.25666E-03 -0.10286E-04 1752 0.212E-02 0.413E-02
DAV: 30 -0.444255642780E+03 -0.94531E-04 -0.23295E-05 1280 0.116E-02 0.278E-02
DAV: 31 -0.444255701094E+03 -0.58314E-04 -0.68828E-06 1104 0.665E-03 0.181E-02
DAV: 32 -0.444255733505E+03 -0.32411E-04 -0.10342E-05 984 0.748E-03 0.538E-03
DAV: 33 -0.444255760962E+03 -0.27457E-04 -0.39061E-06 1016 0.611E-03 0.647E-03
DAV: 34 -0.444255772856E+03 -0.11894E-04 -0.21667E-06 928 0.326E-03 0.651E-03
DAV: 35 -0.444255779608E+03 -0.67515E-05 -0.89118E-07 912 0.300E-03
1 F= -.44425578E+03 E0= -.44423746E+03 d E =-.549568E-01