iterations/neb0_image01_iter107_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 0.366010617469E+03 0.36601E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.336321863344E+01 -0.36265E+03 -0.34934E+03 839 0.195E+02
DAV: 3 -0.956456915660E+02 -0.99009E+02 -0.98664E+02 677 0.116E+02
DAV: 4 -0.100163231268E+03 -0.45175E+01 -0.45079E+01 693 0.283E+01
DAV: 5 -0.100253944440E+03 -0.90713E-01 -0.90660E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916741244800E+02 0.85798E+01 -0.31019E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908671435431E+02 0.80698E+00 -0.18137E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904881844819E+02 0.37896E+00 -0.56172E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904047196776E+02 0.83465E-01 -0.13442E-01 712 0.163E+00 0.427E-01
DAV: 10 -0.903994867091E+02 0.52330E-02 -0.44757E-02 712 0.123E+00 0.314E-01
DAV: 11 -0.904033682832E+02 -0.38816E-02 -0.64888E-03 608 0.471E-01 0.141E-01
DAV: 12 -0.904069299086E+02 -0.35616E-02 -0.68885E-03 629 0.486E-01 0.127E-01
DAV: 13 -0.904096160491E+02 -0.26861E-02 -0.14142E-03 848 0.306E-01 0.755E-02
DAV: 14 -0.904125472733E+02 -0.29312E-02 -0.13626E-03 634 0.174E-01 0.566E-02
DAV: 15 -0.904146241136E+02 -0.20768E-02 -0.37717E-04 680 0.116E-01 0.440E-02
DAV: 16 -0.904159605323E+02 -0.13364E-02 -0.68645E-04 661 0.153E-01 0.334E-02
DAV: 17 -0.904167572682E+02 -0.79674E-03 -0.16762E-04 837 0.920E-02 0.198E-02
DAV: 18 -0.904169228949E+02 -0.16563E-03 -0.37932E-05 696 0.315E-02 0.127E-02
DAV: 19 -0.904171606121E+02 -0.23772E-03 -0.62297E-05 633 0.406E-02 0.651E-03
DAV: 20 -0.904171734956E+02 -0.12884E-04 -0.45698E-06 512 0.132E-02 0.652E-03
DAV: 21 -0.904172102872E+02 -0.36792E-04 -0.60324E-06 406 0.153E-02 0.378E-03
DAV: 22 -0.904172275951E+02 -0.17308E-04 -0.43224E-06 477 0.117E-02 0.233E-03
DAV: 23 -0.904172300710E+02 -0.24759E-05 -0.16499E-06 520 0.743E-03
1 F= -.90417230E+02 E0= -.90422373E+02 d E =0.154301E-01