./iterations/neb0_image01_iter5_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 0.208929376093E+04 0.20893E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140858919476E+03 -0.22302E+04 -0.21425E+04 2144 0.261E+02
DAV: 3 -0.461329763817E+03 -0.32047E+03 -0.31695E+03 1872 0.107E+02
DAV: 4 -0.474928812765E+03 -0.13599E+02 -0.13407E+02 1992 0.229E+01
DAV: 5 -0.475438631576E+03 -0.50982E+00 -0.50834E+00 2104 0.385E+00 0.432E+01
DAV: 6 -0.454856217873E+03 0.20582E+02 -0.21769E+02 2024 0.314E+01 0.407E+01
DAV: 7 -0.452640665308E+03 0.22156E+01 -0.40485E+01 1808 0.150E+01 0.223E+01
DAV: 8 -0.445458319913E+03 0.71823E+01 -0.97733E+00 1808 0.785E+00 0.113E+01
DAV: 9 -0.445760687539E+03 -0.30237E+00 -0.21857E+01 1920 0.754E+00 0.925E+00
DAV: 10 -0.445061056098E+03 0.69963E+00 -0.11780E+00 1872 0.236E+00 0.731E+00
DAV: 11 -0.445716868287E+03 -0.65581E+00 -0.96188E+00 2032 0.434E+00 0.138E+01
DAV: 12 -0.444433009541E+03 0.12839E+01 -0.14025E+00 2024 0.356E+00 0.419E+00
DAV: 13 -0.444357512368E+03 0.75497E-01 -0.20949E-01 1856 0.111E+00 0.123E+00
DAV: 14 -0.444348390049E+03 0.91223E-02 -0.65533E-02 1960 0.412E-01 0.447E-01
DAV: 15 -0.444359048155E+03 -0.10658E-01 -0.29054E-02 1872 0.344E-01 0.930E-01
DAV: 16 -0.444364738527E+03 -0.56904E-02 -0.15119E-01 1968 0.379E-01 0.991E-01
DAV: 17 -0.444360606196E+03 0.41323E-02 -0.49217E-03 1888 0.188E-01 0.202E-01
DAV: 18 -0.444363743013E+03 -0.31368E-02 -0.10267E-03 1896 0.741E-02 0.135E-01
DAV: 19 -0.444364510114E+03 -0.76710E-03 -0.62652E-04 1896 0.710E-02 0.692E-02
DAV: 20 -0.444365368282E+03 -0.85817E-03 -0.23550E-04 2008 0.438E-02 0.632E-02
DAV: 21 -0.444366193368E+03 -0.82509E-03 -0.13923E-04 1928 0.298E-02 0.224E-02
DAV: 22 -0.444366995548E+03 -0.80218E-03 -0.93310E-05 1704 0.202E-02 0.846E-02
DAV: 23 -0.444367457082E+03 -0.46153E-03 -0.49784E-05 1728 0.166E-02 0.493E-02
DAV: 24 -0.444368103239E+03 -0.64616E-03 -0.11084E-04 1592 0.240E-02 0.114E-02
DAV: 25 -0.444368168685E+03 -0.65446E-04 -0.47624E-05 1792 0.148E-02 0.171E-02
DAV: 26 -0.444368187169E+03 -0.18484E-04 -0.35829E-06 968 0.644E-03 0.117E-02
DAV: 27 -0.444368228189E+03 -0.41020E-04 -0.90080E-06 1152 0.864E-03 0.709E-03
DAV: 28 -0.444368256000E+03 -0.27811E-04 -0.37008E-06 1048 0.524E-03 0.460E-03
DAV: 29 -0.444368269220E+03 -0.13220E-04 -0.11989E-06 936 0.315E-03 0.511E-03
DAV: 30 -0.444368277789E+03 -0.85688E-05 -0.29213E-06 968 0.546E-03
1 F= -.44436828E+03 E0= -.44436127E+03 d E =-.210110E-01