./iterations/neb0_image07_iter239_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.371837900441E+03 0.37184E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.384603963587E+01 -0.36799E+03 -0.35610E+03 866 0.194E+02
DAV: 3 -0.966551454304E+02 -0.10050E+03 -0.10015E+03 696 0.116E+02
DAV: 4 -0.101158225686E+03 -0.45031E+01 -0.44919E+01 680 0.280E+01
DAV: 5 -0.101247324355E+03 -0.89099E-01 -0.89043E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.925856071858E+02 0.86617E+01 -0.30815E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.917238667468E+02 0.86174E+00 -0.17453E+00 728 0.622E+00 0.481E+00
DAV: 8 -0.913479559970E+02 0.37591E+00 -0.54391E-01 736 0.399E+00 0.162E+00
DAV: 9 -0.912657535101E+02 0.82202E-01 -0.12951E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.912564964302E+02 0.92571E-02 -0.40362E-02 744 0.103E+00 0.289E-01
DAV: 11 -0.912611010010E+02 -0.46046E-02 -0.12613E-02 605 0.592E-01 0.156E-01
DAV: 12 -0.912637905551E+02 -0.26896E-02 -0.22920E-03 629 0.245E-01 0.928E-02
DAV: 13 -0.912678815896E+02 -0.40910E-02 -0.21770E-03 622 0.234E-01 0.564E-02
DAV: 14 -0.912699986505E+02 -0.21171E-02 -0.57400E-04 768 0.186E-01 0.344E-02
DAV: 15 -0.912726359012E+02 -0.26373E-02 -0.53814E-04 630 0.111E-01 0.354E-02
DAV: 16 -0.912734215363E+02 -0.78564E-03 -0.16134E-04 752 0.931E-02 0.998E-03
DAV: 17 -0.912742727791E+02 -0.85124E-03 -0.13858E-04 679 0.586E-02 0.165E-02
DAV: 18 -0.912744879688E+02 -0.21519E-03 -0.16297E-05 520 0.244E-02 0.119E-02
DAV: 19 -0.912746301953E+02 -0.14223E-03 -0.54292E-05 617 0.434E-02 0.638E-03
DAV: 20 -0.912746610502E+02 -0.30855E-04 -0.52411E-06 512 0.192E-02 0.340E-03
DAV: 21 -0.912746730959E+02 -0.12046E-04 -0.28808E-06 424 0.836E-03 0.153E-03
DAV: 22 -0.912746840626E+02 -0.10967E-04 -0.16085E-06 434 0.588E-03 0.575E-04
DAV: 23 -0.912746856283E+02 -0.15657E-05 -0.55388E-07 512 0.333E-03
1 F= -.91274686E+02 E0= -.91280790E+02 d E =0.183135E-01