./iterations/neb0_image09_iter86_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.798013895887E+03 0.79801E+03 -0.25972E+04 912 0.101E+03
DAV: 2 0.102160245763E+03 -0.69585E+03 -0.67891E+03 1096 0.282E+02
DAV: 3 -0.635566655438E+02 -0.16572E+03 -0.16539E+03 835 0.155E+02
DAV: 4 -0.681405690410E+02 -0.45839E+01 -0.45669E+01 896 0.291E+01
DAV: 5 -0.681941222421E+02 -0.53553E-01 -0.53425E-01 910 0.313E+00 0.199E+01
DAV: 6 -0.636252146816E+02 0.45689E+01 -0.18789E+01 843 0.216E+01 0.110E+01
DAV: 7 -0.634772249566E+02 0.14799E+00 -0.90746E-01 963 0.522E+00 0.398E+00
DAV: 8 -0.634756809809E+02 0.15440E-02 -0.88797E-02 880 0.196E+00 0.135E+00
DAV: 9 -0.634862391447E+02 -0.10558E-01 -0.17411E-02 918 0.875E-01 0.318E-01
DAV: 10 -0.634883551789E+02 -0.21160E-02 -0.41844E-03 923 0.438E-01 0.151E-01
DAV: 11 -0.634893082657E+02 -0.95309E-03 -0.48930E-04 859 0.159E-01 0.728E-02
DAV: 12 -0.634907537303E+02 -0.14455E-02 -0.33469E-04 849 0.130E-01 0.340E-02
DAV: 13 -0.634916382052E+02 -0.88447E-03 -0.13686E-04 835 0.772E-02 0.311E-02
DAV: 14 -0.634922831310E+02 -0.64493E-03 -0.80751E-05 794 0.504E-02 0.126E-02
DAV: 15 -0.634925686119E+02 -0.28548E-03 -0.24068E-05 676 0.323E-02 0.592E-03
DAV: 16 -0.634927833881E+02 -0.21478E-03 -0.17035E-05 615 0.215E-02 0.410E-03
DAV: 17 -0.634929079909E+02 -0.12460E-03 -0.69986E-06 633 0.120E-02 0.256E-03
DAV: 18 -0.634929636745E+02 -0.55684E-04 -0.31817E-06 628 0.661E-03 0.111E-03
DAV: 19 -0.634929905012E+02 -0.26827E-04 -0.15542E-06 614 0.524E-03 0.119E-03
DAV: 20 -0.634930003103E+02 -0.98092E-05 -0.51944E-07 582 0.281E-03
1 F= -.63493000E+02 E0= -.63496866E+02 d E =0.115964E-01