./iterations/neb0_image03_iter46_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 0.209918834808E+04 0.20992E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139104700065E+03 -0.22383E+04 -0.21484E+04 2160 0.262E+02
DAV: 3 -0.463983775660E+03 -0.32488E+03 -0.31924E+03 1936 0.107E+02
DAV: 4 -0.476864558687E+03 -0.12881E+02 -0.12836E+02 1952 0.227E+01
DAV: 5 -0.477323553707E+03 -0.45900E+00 -0.45876E+00 2112 0.378E+00 0.433E+01
DAV: 6 -0.453219565216E+03 0.24104E+02 -0.14741E+02 2040 0.318E+01 0.424E+01
DAV: 7 -0.453816021865E+03 -0.59646E+00 -0.83413E+01 1808 0.146E+01 0.220E+01
DAV: 8 -0.447383288176E+03 0.64327E+01 -0.99354E+00 1864 0.835E+00 0.136E+01
DAV: 9 -0.447000308451E+03 0.38298E+00 -0.20439E+01 2016 0.109E+01 0.120E+01
DAV: 10 -0.446167539361E+03 0.83277E+00 -0.37116E+00 1824 0.343E+00 0.108E+01
DAV: 11 -0.445562357725E+03 0.60518E+00 -0.37691E-01 1928 0.186E+00 0.953E+00
DAV: 12 -0.444746242948E+03 0.81611E+00 -0.39744E+00 2056 0.442E+00 0.112E+01
DAV: 13 -0.444542451339E+03 0.20379E+00 -0.66507E+00 1968 0.365E+00 0.586E+00
DAV: 14 -0.444185455283E+03 0.35700E+00 -0.25866E-01 1808 0.122E+00 0.292E+00
DAV: 15 -0.444159243437E+03 0.26212E-01 -0.59453E-01 1912 0.900E-01 0.285E+00
DAV: 16 -0.444176360176E+03 -0.17117E-01 -0.48979E-02 2008 0.657E-01 0.132E+00
DAV: 17 -0.444179341608E+03 -0.29814E-02 -0.14683E-02 1840 0.350E-01 0.155E+00
DAV: 18 -0.444174299687E+03 0.50419E-02 -0.53260E-03 1840 0.213E-01 0.121E+00
DAV: 19 -0.444174586341E+03 -0.28665E-03 -0.85088E-03 2088 0.266E-01 0.851E-01
DAV: 20 -0.444176945302E+03 -0.23590E-02 -0.24877E-03 1824 0.134E-01 0.186E-01
DAV: 21 -0.444178651249E+03 -0.17059E-02 -0.66410E-04 1904 0.630E-02 0.550E-02
DAV: 22 -0.444180212592E+03 -0.15613E-02 -0.16474E-04 1832 0.361E-02 0.949E-02
DAV: 23 -0.444182020629E+03 -0.18080E-02 -0.37440E-04 1848 0.478E-02 0.153E-01
DAV: 24 -0.444182428124E+03 -0.40750E-03 -0.11786E-04 1920 0.305E-02 0.410E-02
DAV: 25 -0.444182833503E+03 -0.40538E-03 -0.56067E-05 1600 0.223E-02 0.657E-02
DAV: 26 -0.444182968862E+03 -0.13536E-03 -0.36631E-05 1648 0.155E-02 0.457E-02
DAV: 27 -0.444183034011E+03 -0.65149E-04 -0.12294E-05 1328 0.875E-03 0.695E-03
DAV: 28 -0.444183081954E+03 -0.47944E-04 -0.30094E-06 992 0.461E-03 0.433E-03
DAV: 29 -0.444183111442E+03 -0.29488E-04 -0.27114E-06 1040 0.528E-03 0.125E-02
DAV: 30 -0.444183121074E+03 -0.96317E-05 -0.12589E-06 936 0.316E-03
1 F= -.44418312E+03 E0= -.44417160E+03 d E =-.345589E-01