./iterations/neb0_image02_iter85_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 0.802752844813E+03 0.80275E+03 -0.25815E+04 904 0.101E+03
DAV: 2 0.106548086359E+03 -0.69620E+03 -0.67873E+03 1152 0.281E+02
DAV: 3 -0.599395075885E+02 -0.16649E+03 -0.16606E+03 848 0.153E+02
DAV: 4 -0.648925729424E+02 -0.49531E+01 -0.49402E+01 888 0.290E+01
DAV: 5 -0.649508247473E+02 -0.58252E-01 -0.58143E-01 854 0.322E+00 0.206E+01
DAV: 6 -0.597856611732E+02 0.51652E+01 -0.17764E+01 816 0.230E+01 0.108E+01
DAV: 7 -0.595194366076E+02 0.26622E+00 -0.12429E+00 883 0.625E+00 0.421E+00
DAV: 8 -0.595006484546E+02 0.18788E-01 -0.17117E-01 864 0.260E+00 0.128E+00
DAV: 9 -0.595064825232E+02 -0.58341E-02 -0.22946E-02 923 0.142E+00 0.346E-01
DAV: 10 -0.595084696150E+02 -0.19871E-02 -0.56206E-03 854 0.462E-01 0.177E-01
DAV: 11 -0.595100204239E+02 -0.15508E-02 -0.12711E-03 788 0.263E-01 0.665E-02
DAV: 12 -0.595112951113E+02 -0.12747E-02 -0.22699E-04 849 0.127E-01 0.296E-02
DAV: 13 -0.595126488760E+02 -0.13538E-02 -0.18449E-04 844 0.101E-01 0.219E-02
DAV: 14 -0.595134274552E+02 -0.77858E-03 -0.97313E-05 780 0.633E-02 0.141E-02
DAV: 15 -0.595139837272E+02 -0.55627E-03 -0.53010E-05 770 0.433E-02 0.701E-03
DAV: 16 -0.595141591657E+02 -0.17544E-03 -0.15967E-05 598 0.239E-02 0.474E-03
DAV: 17 -0.595143018054E+02 -0.14264E-03 -0.10378E-05 568 0.165E-02 0.242E-03
DAV: 18 -0.595143739643E+02 -0.72159E-04 -0.44424E-06 586 0.815E-03 0.137E-03
DAV: 19 -0.595144148832E+02 -0.40919E-04 -0.28833E-06 526 0.702E-03 0.106E-03
DAV: 20 -0.595144236878E+02 -0.88046E-05 -0.67681E-07 475 0.342E-03
1 F= -.59514424E+02 E0= -.59518292E+02 d E =0.116054E-01