iterations/neb0_image01_iter93_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 0.366563642172E+03 0.36656E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.343053216441E+01 -0.36313E+03 -0.34976E+03 839 0.195E+02
DAV: 3 -0.957815886561E+02 -0.99212E+02 -0.98872E+02 688 0.116E+02
DAV: 4 -0.100201779305E+03 -0.44202E+01 -0.44110E+01 685 0.279E+01
DAV: 5 -0.100289465763E+03 -0.87686E-01 -0.87634E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916807500283E+02 0.86087E+01 -0.31134E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908685385662E+02 0.81221E+00 -0.18190E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904880518510E+02 0.38049E+00 -0.55815E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904033694278E+02 0.84682E-01 -0.13577E-01 704 0.164E+00 0.428E-01
DAV: 10 -0.903979752737E+02 0.53942E-02 -0.45801E-02 728 0.125E+00 0.316E-01
DAV: 11 -0.904018599746E+02 -0.38847E-02 -0.67451E-03 608 0.482E-01 0.140E-01
DAV: 12 -0.904054141850E+02 -0.35542E-02 -0.68536E-03 629 0.478E-01 0.127E-01
DAV: 13 -0.904081006832E+02 -0.26865E-02 -0.13852E-03 848 0.306E-01 0.761E-02
DAV: 14 -0.904110568690E+02 -0.29562E-02 -0.14089E-03 634 0.179E-01 0.580E-02
DAV: 15 -0.904131503030E+02 -0.20934E-02 -0.39494E-04 680 0.121E-01 0.454E-02
DAV: 16 -0.904144629494E+02 -0.13126E-02 -0.72522E-04 653 0.157E-01 0.345E-02
DAV: 17 -0.904153028264E+02 -0.83988E-03 -0.18426E-04 853 0.952E-02 0.206E-02
DAV: 18 -0.904154438338E+02 -0.14101E-03 -0.35441E-05 696 0.310E-02 0.140E-02
DAV: 19 -0.904157029363E+02 -0.25910E-03 -0.65787E-05 633 0.421E-02 0.595E-03
DAV: 20 -0.904157237695E+02 -0.20833E-04 -0.50227E-06 488 0.135E-02 0.605E-03
DAV: 21 -0.904157617950E+02 -0.38025E-04 -0.58195E-06 406 0.151E-02 0.391E-03
DAV: 22 -0.904157807645E+02 -0.18969E-04 -0.37894E-06 477 0.103E-02 0.278E-03
DAV: 23 -0.904157834294E+02 -0.26649E-05 -0.21884E-06 520 0.830E-03
1 F= -.90415783E+02 E0= -.90420870E+02 d E =0.152602E-01