./iterations/neb0_image09_iter78_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 0.798161855596E+03 0.79816E+03 -0.25971E+04 912 0.101E+03
DAV: 2 0.102238119157E+03 -0.69592E+03 -0.67896E+03 1096 0.282E+02
DAV: 3 -0.635392083109E+02 -0.16578E+03 -0.16545E+03 835 0.155E+02
DAV: 4 -0.681387502909E+02 -0.45995E+01 -0.45837E+01 896 0.291E+01
DAV: 5 -0.681925383647E+02 -0.53788E-01 -0.53650E-01 918 0.313E+00 0.198E+01
DAV: 6 -0.636222578944E+02 0.45703E+01 -0.18788E+01 838 0.217E+01 0.109E+01
DAV: 7 -0.634755087863E+02 0.14675E+00 -0.91393E-01 971 0.524E+00 0.398E+00
DAV: 8 -0.634741812411E+02 0.13275E-02 -0.88500E-02 872 0.196E+00 0.135E+00
DAV: 9 -0.634848638747E+02 -0.10683E-01 -0.17333E-02 918 0.875E-01 0.316E-01
DAV: 10 -0.634870347512E+02 -0.21709E-02 -0.41887E-03 923 0.439E-01 0.150E-01
DAV: 11 -0.634880013780E+02 -0.96663E-03 -0.49648E-04 864 0.162E-01 0.713E-02
DAV: 12 -0.634894336939E+02 -0.14323E-02 -0.32522E-04 844 0.128E-01 0.332E-02
DAV: 13 -0.634903112463E+02 -0.87755E-03 -0.13109E-04 827 0.753E-02 0.300E-02
DAV: 14 -0.634909608960E+02 -0.64965E-03 -0.82271E-05 791 0.509E-02 0.122E-02
DAV: 15 -0.634912207005E+02 -0.25980E-03 -0.22506E-05 691 0.321E-02 0.561E-03
DAV: 16 -0.634914229509E+02 -0.20225E-03 -0.15783E-05 599 0.207E-02 0.411E-03
DAV: 17 -0.634915396208E+02 -0.11667E-03 -0.64938E-06 633 0.125E-02 0.269E-03
DAV: 18 -0.634915941160E+02 -0.54495E-04 -0.29570E-06 638 0.641E-03 0.125E-03
DAV: 19 -0.634916229458E+02 -0.28830E-04 -0.17207E-06 614 0.632E-03 0.124E-03
DAV: 20 -0.634916315785E+02 -0.86327E-05 -0.48854E-07 566 0.288E-03
1 F= -.63491632E+02 E0= -.63495497E+02 d E =0.115964E-01