./iterations/neb0_image07_iter51_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 0.790536662174E+03 0.79054E+03 -0.25981E+04 920 0.101E+03
DAV: 2 0.101097084228E+03 -0.68944E+03 -0.67211E+03 1112 0.280E+02
DAV: 3 -0.624062327881E+02 -0.16350E+03 -0.16304E+03 811 0.154E+02
DAV: 4 -0.672537043675E+02 -0.48475E+01 -0.48192E+01 928 0.294E+01
DAV: 5 -0.673105336023E+02 -0.56829E-01 -0.56695E-01 864 0.320E+00 0.191E+01
DAV: 6 -0.622651021353E+02 0.50454E+01 -0.19639E+01 848 0.253E+01 0.103E+01
DAV: 7 -0.620583775285E+02 0.20672E+00 -0.14583E+00 872 0.832E+00 0.406E+00
DAV: 8 -0.619986685913E+02 0.59709E-01 -0.15466E-01 976 0.326E+00 0.161E+00
DAV: 9 -0.619815647334E+02 0.17104E-01 -0.41895E-02 864 0.183E+00 0.394E-01
DAV: 10 -0.619764560306E+02 0.51087E-02 -0.13837E-02 984 0.100E+00 0.241E-01
DAV: 11 -0.619752708124E+02 0.11852E-02 -0.33429E-03 928 0.616E-01 0.106E-01
DAV: 12 -0.619768365400E+02 -0.15657E-02 -0.24250E-03 995 0.513E-01 0.810E-02
DAV: 13 -0.619795332027E+02 -0.26967E-02 -0.12555E-03 912 0.335E-01 0.739E-02
DAV: 14 -0.619819134440E+02 -0.23802E-02 -0.61535E-04 928 0.178E-01 0.353E-02
DAV: 15 -0.619835125727E+02 -0.15991E-02 -0.19241E-04 904 0.733E-02 0.192E-02
DAV: 16 -0.619841276807E+02 -0.61511E-03 -0.32068E-05 720 0.321E-02 0.125E-02
DAV: 17 -0.619847033142E+02 -0.57563E-03 -0.44653E-05 736 0.271E-02 0.864E-03
DAV: 18 -0.619848905552E+02 -0.18724E-03 -0.93897E-06 664 0.171E-02 0.360E-03
DAV: 19 -0.619849525776E+02 -0.62022E-04 -0.33797E-06 648 0.829E-03 0.178E-03
DAV: 20 -0.619849821520E+02 -0.29574E-04 -0.19002E-06 608 0.826E-03 0.150E-03
DAV: 21 -0.619849900059E+02 -0.78539E-05 -0.39875E-07 544 0.400E-03
1 F= -.61984990E+02 E0= -.61988856E+02 d E =0.115970E-01