./iterations/neb0_image07_iter1_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 0.807633370290E+03 0.80763E+03 -0.25831E+04 904 0.101E+03
DAV: 2 0.109783342239E+03 -0.69785E+03 -0.68165E+03 1104 0.282E+02
DAV: 3 -0.587205920165E+02 -0.16850E+03 -0.16786E+03 848 0.157E+02
DAV: 4 -0.636525280699E+02 -0.49319E+01 -0.49068E+01 848 0.297E+01
DAV: 5 -0.637294926798E+02 -0.76965E-01 -0.76787E-01 846 0.344E+00 0.217E+01
DAV: 6 -0.582286632377E+02 0.55008E+01 -0.28146E+01 790 0.270E+01 0.133E+01
DAV: 7 -0.580102761656E+02 0.21839E+00 -0.85681E+00 864 0.112E+01 0.731E+00
DAV: 8 -0.576079763007E+02 0.40230E+00 -0.35061E+00 854 0.911E+00 0.376E+00
DAV: 9 -0.575315938375E+02 0.76382E-01 -0.42376E-01 915 0.313E+00 0.991E-01
DAV: 10 -0.575374185662E+02 -0.58247E-02 -0.41057E-02 790 0.109E+00 0.448E-01
DAV: 11 -0.575519088723E+02 -0.14490E-01 -0.11174E-01 854 0.657E-01 0.194E+00
DAV: 12 -0.575351946303E+02 0.16714E-01 -0.10576E-01 770 0.455E-01 0.237E-01
DAV: 13 -0.575458920243E+02 -0.10697E-01 -0.32242E-03 849 0.392E-01 0.124E-01
DAV: 14 -0.575506057360E+02 -0.47137E-02 -0.23252E-03 849 0.269E-01 0.114E-01
DAV: 15 -0.575540823327E+02 -0.34766E-02 -0.13608E-03 839 0.204E-01 0.780E-02
DAV: 16 -0.575558530096E+02 -0.17707E-02 -0.38319E-04 854 0.105E-01 0.735E-02
DAV: 17 -0.575569983995E+02 -0.11454E-02 -0.22655E-04 775 0.597E-02 0.315E-02
DAV: 18 -0.575575243230E+02 -0.52592E-03 -0.41719E-05 675 0.285E-02 0.137E-02
DAV: 19 -0.575579291830E+02 -0.40486E-03 -0.56430E-05 703 0.261E-02 0.149E-02
DAV: 20 -0.575580415457E+02 -0.11236E-03 -0.77812E-06 598 0.174E-02 0.834E-03
DAV: 21 -0.575580963391E+02 -0.54793E-04 -0.53895E-06 578 0.989E-03 0.357E-03
DAV: 22 -0.575581133799E+02 -0.17041E-04 -0.96564E-07 555 0.711E-03 0.213E-03
DAV: 23 -0.575581305524E+02 -0.17173E-04 -0.15270E-06 573 0.556E-03 0.146E-03
DAV: 24 -0.575581330424E+02 -0.24900E-05 -0.22643E-07 475 0.373E-03
1 F= -.57558133E+02 E0= -.57574134E+02 d E =0.480024E-01