./iterations/neb0_image01_iter87_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 0.803355995528E+03 0.80336E+03 -0.25786E+04 896 0.101E+03
DAV: 2 0.107316224491E+03 -0.69604E+03 -0.67997E+03 1144 0.281E+02
DAV: 3 -0.599608827298E+02 -0.16728E+03 -0.16685E+03 848 0.154E+02
DAV: 4 -0.650199094147E+02 -0.50590E+01 -0.50426E+01 888 0.291E+01
DAV: 5 -0.650813018287E+02 -0.61392E-01 -0.61280E-01 847 0.325E+00 0.206E+01
DAV: 6 -0.600000885462E+02 0.50812E+01 -0.17617E+01 800 0.214E+01 0.110E+01
DAV: 7 -0.597054063760E+02 0.29468E+00 -0.11001E+00 891 0.584E+00 0.418E+00
DAV: 8 -0.596942674167E+02 0.11139E-01 -0.16517E-01 864 0.242E+00 0.132E+00
DAV: 9 -0.597022166077E+02 -0.79492E-02 -0.25168E-02 928 0.140E+00 0.360E-01
DAV: 10 -0.597038133997E+02 -0.15968E-02 -0.49764E-03 854 0.401E-01 0.201E-01
DAV: 11 -0.597055049364E+02 -0.16915E-02 -0.19258E-03 785 0.307E-01 0.759E-02
DAV: 12 -0.597068632921E+02 -0.13584E-02 -0.38889E-04 844 0.144E-01 0.285E-02
DAV: 13 -0.597080003866E+02 -0.11371E-02 -0.12637E-04 849 0.712E-02 0.211E-02
DAV: 14 -0.597086374269E+02 -0.63704E-03 -0.44772E-05 790 0.374E-02 0.988E-03
DAV: 15 -0.597092164099E+02 -0.57898E-03 -0.52423E-05 765 0.364E-02 0.668E-03
DAV: 16 -0.597093724750E+02 -0.15607E-03 -0.15067E-05 654 0.215E-02 0.370E-03
DAV: 17 -0.597094889800E+02 -0.11651E-03 -0.78668E-06 568 0.125E-02 0.325E-03
DAV: 18 -0.597095515743E+02 -0.62594E-04 -0.27411E-06 588 0.686E-03 0.109E-03
DAV: 19 -0.597095970526E+02 -0.45478E-04 -0.30573E-06 555 0.659E-03 0.106E-03
DAV: 20 -0.597096042982E+02 -0.72456E-05 -0.53085E-07 480 0.314E-03
1 F= -.59709604E+02 E0= -.59713470E+02 d E =0.115964E-01