./iterations/neb0_image07_iter21_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 0.209947347313E+04 0.20995E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.138500098703E+03 -0.22380E+04 -0.21499E+04 2152 0.262E+02
DAV: 3 -0.464371920979E+03 -0.32587E+03 -0.32125E+03 1864 0.107E+02
DAV: 4 -0.477385733872E+03 -0.13014E+02 -0.12964E+02 1960 0.229E+01
DAV: 5 -0.477874895717E+03 -0.48916E+00 -0.48887E+00 2104 0.388E+00 0.428E+01
DAV: 6 -0.448113959360E+03 0.29761E+02 -0.14773E+02 2032 0.318E+01 0.271E+01
DAV: 7 -0.445606669439E+03 0.25073E+01 -0.24305E+01 1848 0.116E+01 0.122E+01
DAV: 8 -0.445855995660E+03 -0.24933E+00 -0.83087E+00 2128 0.623E+00 0.792E+00
DAV: 9 -0.445762450694E+03 0.93545E-01 -0.90530E+00 2200 0.455E+00 0.806E+00
DAV: 10 -0.445441621263E+03 0.32083E+00 -0.13584E+00 2464 0.453E+00 0.468E+00
DAV: 11 -0.445084085856E+03 0.35754E+00 -0.70317E-01 1872 0.191E+00 0.201E+00
DAV: 12 -0.445067817156E+03 0.16269E-01 -0.18818E-01 1976 0.108E+00 0.894E-01
DAV: 13 -0.445074202036E+03 -0.63849E-02 -0.29794E-02 1880 0.416E-01 0.592E-01
DAV: 14 -0.445110397411E+03 -0.36195E-01 -0.14040E-01 2264 0.436E-01 0.255E+00
DAV: 15 -0.445074099454E+03 0.36298E-01 -0.20347E-01 2408 0.546E-01 0.730E-01
DAV: 16 -0.445082562070E+03 -0.84626E-02 -0.91863E-03 1848 0.200E-01 0.548E-01
DAV: 17 -0.445081378187E+03 0.11839E-02 -0.22756E-03 2200 0.139E-01 0.117E-01
DAV: 18 -0.445082948116E+03 -0.15699E-02 -0.19623E-03 1920 0.101E-01 0.148E-01
DAV: 19 -0.445085650186E+03 -0.27021E-02 -0.10787E-03 2080 0.818E-02 0.326E-01
DAV: 20 -0.445086090575E+03 -0.44039E-03 -0.49816E-04 2416 0.727E-02 0.710E-02
DAV: 21 -0.445087873979E+03 -0.17834E-02 -0.47646E-04 1808 0.558E-02 0.115E-01
DAV: 22 -0.445088896771E+03 -0.10228E-02 -0.18752E-04 1856 0.282E-02 0.108E-01
DAV: 23 -0.445089229324E+03 -0.33255E-03 -0.85994E-05 1744 0.254E-02 0.284E-02
DAV: 24 -0.445089537520E+03 -0.30820E-03 -0.68934E-05 1744 0.215E-02 0.135E-02
DAV: 25 -0.445089600351E+03 -0.62831E-04 -0.20283E-05 1216 0.112E-02 0.119E-02
DAV: 26 -0.445089666527E+03 -0.66176E-04 -0.54223E-06 1144 0.534E-03 0.143E-02
DAV: 27 -0.445089695907E+03 -0.29379E-04 -0.43618E-06 1016 0.580E-03 0.626E-03
DAV: 28 -0.445089710665E+03 -0.14758E-04 -0.22521E-06 936 0.382E-03 0.178E-03
DAV: 29 -0.445089724451E+03 -0.13787E-04 -0.12752E-06 976 0.243E-03 0.289E-03
DAV: 30 -0.445089732288E+03 -0.78367E-05 -0.51397E-07 936 0.168E-03
1 F= -.44508973E+03 E0= -.44507407E+03 d E =-.470001E-01