./iterations/neb0_image09_iter71_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 0.798162227677E+03 0.79816E+03 -0.25969E+04 912 0.101E+03
DAV: 2 0.102168405771E+03 -0.69599E+03 -0.67876E+03 1096 0.282E+02
DAV: 3 -0.635481232361E+02 -0.16572E+03 -0.16539E+03 835 0.155E+02
DAV: 4 -0.681358369458E+02 -0.45877E+01 -0.45731E+01 904 0.291E+01
DAV: 5 -0.681879335663E+02 -0.52097E-01 -0.51967E-01 928 0.310E+00 0.198E+01
DAV: 6 -0.636176277960E+02 0.45703E+01 -0.18783E+01 846 0.217E+01 0.109E+01
DAV: 7 -0.634714803215E+02 0.14615E+00 -0.91538E-01 939 0.527E+00 0.398E+00
DAV: 8 -0.634704714451E+02 0.10089E-02 -0.88087E-02 888 0.194E+00 0.136E+00
DAV: 9 -0.634812341996E+02 -0.10763E-01 -0.17468E-02 918 0.893E-01 0.319E-01
DAV: 10 -0.634833966682E+02 -0.21625E-02 -0.45974E-03 923 0.487E-01 0.151E-01
DAV: 11 -0.634843227442E+02 -0.92608E-03 -0.55482E-04 864 0.171E-01 0.736E-02
DAV: 12 -0.634857113545E+02 -0.13886E-02 -0.33487E-04 844 0.127E-01 0.321E-02
DAV: 13 -0.634866169400E+02 -0.90559E-03 -0.13080E-04 827 0.818E-02 0.305E-02
DAV: 14 -0.634872753104E+02 -0.65837E-03 -0.97704E-05 804 0.587E-02 0.137E-02
DAV: 15 -0.634875689089E+02 -0.29360E-03 -0.27917E-05 763 0.339E-02 0.547E-03
DAV: 16 -0.634877558354E+02 -0.18693E-03 -0.11786E-05 620 0.182E-02 0.441E-03
DAV: 17 -0.634878754445E+02 -0.11961E-03 -0.65887E-06 630 0.118E-02 0.254E-03
DAV: 18 -0.634879403595E+02 -0.64915E-04 -0.34410E-06 638 0.723E-03 0.109E-03
DAV: 19 -0.634879750760E+02 -0.34716E-04 -0.19686E-06 614 0.612E-03 0.113E-03
DAV: 20 -0.634879803061E+02 -0.52302E-05 -0.41733E-07 475 0.330E-03
1 F= -.63487980E+02 E0= -.63491846E+02 d E =0.115964E-01