iterations/neb0_image01_iter105_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 0.366119361451E+03 0.36612E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.338188541240E+01 -0.36274E+03 -0.34942E+03 839 0.195E+02
DAV: 3 -0.956532188264E+02 -0.99035E+02 -0.98691E+02 677 0.116E+02
DAV: 4 -0.100169379130E+03 -0.45162E+01 -0.45065E+01 693 0.283E+01
DAV: 5 -0.100259980440E+03 -0.90601E-01 -0.90548E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916749195073E+02 0.85851E+01 -0.31048E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908678090781E+02 0.80711E+00 -0.18138E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904888804288E+02 0.37893E+00 -0.55956E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904050649988E+02 0.83815E-01 -0.13476E-01 704 0.163E+00 0.427E-01
DAV: 10 -0.903998210776E+02 0.52439E-02 -0.45156E-02 720 0.124E+00 0.315E-01
DAV: 11 -0.904036764831E+02 -0.38554E-02 -0.65765E-03 616 0.474E-01 0.142E-01
DAV: 12 -0.904072283371E+02 -0.35519E-02 -0.69308E-03 613 0.484E-01 0.127E-01
DAV: 13 -0.904099267776E+02 -0.26984E-02 -0.14103E-03 856 0.307E-01 0.761E-02
DAV: 14 -0.904128562684E+02 -0.29295E-02 -0.13817E-03 626 0.177E-01 0.574E-02
DAV: 15 -0.904149332530E+02 -0.20770E-02 -0.38282E-04 688 0.118E-01 0.445E-02
DAV: 16 -0.904162620982E+02 -0.13288E-02 -0.70347E-04 653 0.155E-01 0.340E-02
DAV: 17 -0.904170720131E+02 -0.80991E-03 -0.17120E-04 845 0.926E-02 0.201E-02
DAV: 18 -0.904172347930E+02 -0.16278E-03 -0.37743E-05 696 0.316E-02 0.131E-02
DAV: 19 -0.904174825512E+02 -0.24776E-03 -0.63237E-05 633 0.409E-02 0.621E-03
DAV: 20 -0.904174970819E+02 -0.14531E-04 -0.48022E-06 504 0.134E-02 0.632E-03
DAV: 21 -0.904175340649E+02 -0.36983E-04 -0.58671E-06 403 0.151E-02 0.383E-03
DAV: 22 -0.904175529201E+02 -0.18855E-04 -0.41511E-06 477 0.114E-02 0.241E-03
DAV: 23 -0.904175554477E+02 -0.25275E-05 -0.20115E-06 520 0.807E-03
1 F= -.90417555E+02 E0= -.90422659E+02 d E =0.153098E-01