iterations/neb0_image08_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 0.210390430328E+04 0.21039E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.141283819787E+03 -0.22452E+04 -0.21554E+04 2168 0.262E+02
DAV: 3 -0.466548609726E+03 -0.32526E+03 -0.32204E+03 1856 0.108E+02
DAV: 4 -0.478832417969E+03 -0.12284E+02 -0.12235E+02 1952 0.224E+01
DAV: 5 -0.479287634607E+03 -0.45522E+00 -0.45500E+00 2144 0.378E+00 0.429E+01
DAV: 6 -0.447604140689E+03 0.31683E+02 -0.14432E+02 1984 0.310E+01 0.271E+01
DAV: 7 -0.448018020623E+03 -0.41388E+00 -0.44252E+01 1848 0.113E+01 0.135E+01
DAV: 8 -0.446966483439E+03 0.10515E+01 -0.78791E+00 2392 0.799E+00 0.990E+00
DAV: 9 -0.446120191983E+03 0.84629E+00 -0.10250E+01 2008 0.455E+00 0.558E+00
DAV: 10 -0.446189261428E+03 -0.69069E-01 -0.90513E-01 2208 0.433E+00 0.644E+00
DAV: 11 -0.445618738686E+03 0.57052E+00 -0.20980E+00 1928 0.214E+00 0.105E+00
DAV: 12 -0.445647215902E+03 -0.28477E-01 -0.18388E-01 1928 0.103E+00 0.828E-01
DAV: 13 -0.445651840102E+03 -0.46242E-02 -0.42024E-02 1896 0.418E-01 0.690E-01
DAV: 14 -0.445656714653E+03 -0.48746E-02 -0.43578E-02 2088 0.394E-01 0.823E-01
DAV: 15 -0.445658151499E+03 -0.14368E-02 -0.39125E-02 1928 0.278E-01 0.597E-01
DAV: 16 -0.445658203059E+03 -0.51561E-04 -0.15276E-02 1920 0.171E-01 0.470E-01
DAV: 17 -0.445658683654E+03 -0.48059E-03 -0.53120E-03 1976 0.888E-02 0.766E-02
DAV: 18 -0.445661600272E+03 -0.29166E-02 -0.99613E-04 1824 0.655E-02 0.921E-02
DAV: 19 -0.445664248823E+03 -0.26486E-02 -0.93070E-04 2192 0.769E-02 0.276E-01
DAV: 20 -0.445665603451E+03 -0.13546E-02 -0.10610E-03 2272 0.970E-02 0.162E-01
DAV: 21 -0.445666028947E+03 -0.42550E-03 -0.35064E-04 1792 0.426E-02 0.483E-02
DAV: 22 -0.445666506041E+03 -0.47709E-03 -0.16496E-04 1784 0.319E-02 0.809E-02
DAV: 23 -0.445666921980E+03 -0.41594E-03 -0.12256E-04 1872 0.262E-02 0.404E-02
DAV: 24 -0.445667077960E+03 -0.15598E-03 -0.39404E-05 1704 0.163E-02 0.265E-02
DAV: 25 -0.445667155237E+03 -0.77277E-04 -0.11685E-05 1136 0.918E-03 0.820E-03
DAV: 26 -0.445667208230E+03 -0.52993E-04 -0.57579E-06 1040 0.573E-03 0.285E-03
DAV: 27 -0.445667245653E+03 -0.37423E-04 -0.25531E-06 1048 0.361E-03 0.688E-03
DAV: 28 -0.445667263102E+03 -0.17449E-04 -0.11672E-06 960 0.206E-03 0.379E-03
DAV: 29 -0.445667274425E+03 -0.11322E-04 -0.78006E-07 992 0.241E-03 0.239E-03
DAV: 30 -0.445667277691E+03 -0.32668E-05 -0.37097E-07 936 0.137E-03
1 F= -.44566728E+03 E0= -.44564230E+03 d E =-.749462E-01