iterations/neb0_image09_iter156_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 0.374137640771E+03 0.37414E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.331204997554E+01 -0.37083E+03 -0.35802E+03 869 0.196E+02
DAV: 3 -0.967056452079E+02 -0.10002E+03 -0.99685E+02 661 0.117E+02
DAV: 4 -0.101254793532E+03 -0.45491E+01 -0.45385E+01 720 0.287E+01
DAV: 5 -0.101343933487E+03 -0.89140E-01 -0.89099E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926723839938E+02 0.86715E+01 -0.30971E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.918054170357E+02 0.86697E+00 -0.17297E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914292412654E+02 0.37618E+00 -0.54279E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913473269650E+02 0.81914E-01 -0.13123E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913388939583E+02 0.84330E-02 -0.43669E-02 768 0.110E+00 0.297E-01
DAV: 11 -0.913432481974E+02 -0.43542E-02 -0.11644E-02 616 0.564E-01 0.134E-01
DAV: 12 -0.913463693652E+02 -0.31212E-02 -0.27532E-03 634 0.248E-01 0.106E-01
DAV: 13 -0.913498871394E+02 -0.35178E-02 -0.12002E-03 664 0.186E-01 0.459E-02
DAV: 14 -0.913533619788E+02 -0.34748E-02 -0.80727E-04 664 0.168E-01 0.365E-02
DAV: 15 -0.913545941020E+02 -0.12321E-02 -0.14887E-04 688 0.853E-02 0.353E-02
DAV: 16 -0.913560753083E+02 -0.14812E-02 -0.41172E-04 636 0.108E-01 0.219E-02
DAV: 17 -0.913564514295E+02 -0.37612E-03 -0.77607E-05 752 0.667E-02 0.137E-02
DAV: 18 -0.913566836986E+02 -0.23227E-03 -0.35427E-05 565 0.287E-02 0.101E-02
DAV: 19 -0.913568050742E+02 -0.12138E-03 -0.18271E-05 472 0.215E-02 0.469E-03
DAV: 20 -0.913568438160E+02 -0.38742E-04 -0.59289E-06 456 0.149E-02 0.220E-03
DAV: 21 -0.913568678864E+02 -0.24070E-04 -0.60164E-06 412 0.119E-02 0.231E-03
DAV: 22 -0.913568701266E+02 -0.22402E-05 -0.78735E-07 528 0.595E-03
1 F= -.91356870E+02 E0= -.91361899E+02 d E =0.150877E-01