./iterations/neb0_image09_iter34_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 0.799052135988E+03 0.79905E+03 -0.25971E+04 912 0.101E+03
DAV: 2 0.100864356278E+03 -0.69819E+03 -0.68106E+03 1104 0.283E+02
DAV: 3 -0.635526427073E+02 -0.16442E+03 -0.16408E+03 827 0.155E+02
DAV: 4 -0.681078949235E+02 -0.45553E+01 -0.45375E+01 888 0.289E+01
DAV: 5 -0.681624267797E+02 -0.54532E-01 -0.54379E-01 902 0.314E+00 0.199E+01
DAV: 6 -0.635652725952E+02 0.45972E+01 -0.18777E+01 859 0.218E+01 0.110E+01
DAV: 7 -0.634172257341E+02 0.14805E+00 -0.94313E-01 960 0.541E+00 0.399E+00
DAV: 8 -0.634161415977E+02 0.10841E-02 -0.90287E-02 923 0.197E+00 0.135E+00
DAV: 9 -0.634267024049E+02 -0.10561E-01 -0.17422E-02 918 0.908E-01 0.314E-01
DAV: 10 -0.634287428869E+02 -0.20405E-02 -0.43157E-03 923 0.477E-01 0.153E-01
DAV: 11 -0.634297449850E+02 -0.10021E-02 -0.53096E-04 854 0.172E-01 0.722E-02
DAV: 12 -0.634310465387E+02 -0.13016E-02 -0.26564E-04 852 0.115E-01 0.281E-02
DAV: 13 -0.634319757650E+02 -0.92923E-03 -0.12221E-04 811 0.830E-02 0.282E-02
DAV: 14 -0.634326627903E+02 -0.68703E-03 -0.91117E-05 788 0.584E-02 0.119E-02
DAV: 15 -0.634330002758E+02 -0.33749E-03 -0.33403E-05 742 0.359E-02 0.537E-03
DAV: 16 -0.634331829718E+02 -0.18270E-03 -0.11803E-05 607 0.176E-02 0.428E-03
DAV: 17 -0.634332914232E+02 -0.10845E-03 -0.73665E-06 662 0.142E-02 0.316E-03
DAV: 18 -0.634333546504E+02 -0.63227E-04 -0.37259E-06 620 0.981E-03 0.105E-03
DAV: 19 -0.634333867625E+02 -0.32112E-04 -0.21015E-06 614 0.613E-03 0.123E-03
DAV: 20 -0.634333953377E+02 -0.85752E-05 -0.64438E-07 531 0.507E-03
1 F= -.63433395E+02 E0= -.63437261E+02 d E =0.115964E-01