iterations/neb0_image03_iter24_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 0.364828198556E+03 0.36483E+03 -0.14299E+04 632 0.799E+02
DAV: 2 0.336442414769E+01 -0.36146E+03 -0.34884E+03 845 0.194E+02
DAV: 3 -0.952752499117E+02 -0.98640E+02 -0.98307E+02 693 0.115E+02
DAV: 4 -0.995680180283E+02 -0.42928E+01 -0.42814E+01 728 0.271E+01
DAV: 5 -0.996515512224E+02 -0.83533E-01 -0.83490E-01 736 0.339E+00 0.220E+01
DAV: 6 -0.911122595302E+02 0.85393E+01 -0.30503E+01 685 0.296E+01 0.115E+01
DAV: 7 -0.902713181099E+02 0.84094E+00 -0.17452E+00 728 0.641E+00 0.482E+00
DAV: 8 -0.898657645902E+02 0.40555E+00 -0.62841E-01 720 0.455E+00 0.161E+00
DAV: 9 -0.897786329578E+02 0.87132E-01 -0.13378E-01 736 0.166E+00 0.445E-01
DAV: 10 -0.897702282943E+02 0.84047E-02 -0.44536E-02 728 0.118E+00 0.325E-01
DAV: 11 -0.897739675110E+02 -0.37392E-02 -0.72053E-03 608 0.482E-01 0.128E-01
DAV: 12 -0.897772430220E+02 -0.32755E-02 -0.54431E-03 631 0.361E-01 0.124E-01
DAV: 13 -0.897802448496E+02 -0.30018E-02 -0.14392E-03 984 0.332E-01 0.769E-02
DAV: 14 -0.897836038663E+02 -0.33590E-02 -0.12422E-03 631 0.167E-01 0.532E-02
DAV: 15 -0.897859774573E+02 -0.23736E-02 -0.33096E-04 800 0.107E-01 0.303E-02
DAV: 16 -0.897873653804E+02 -0.13879E-02 -0.33261E-04 685 0.921E-02 0.272E-02
DAV: 17 -0.897883037516E+02 -0.93837E-03 -0.17517E-04 866 0.879E-02 0.109E-02
DAV: 18 -0.897885195288E+02 -0.21578E-03 -0.36451E-05 648 0.296E-02 0.791E-03
DAV: 19 -0.897886537302E+02 -0.13420E-03 -0.16366E-05 469 0.198E-02 0.337E-03
DAV: 20 -0.897886972708E+02 -0.43541E-04 -0.74897E-06 480 0.131E-02 0.221E-03
DAV: 21 -0.897887273651E+02 -0.30094E-04 -0.40925E-06 418 0.784E-03 0.165E-03
DAV: 22 -0.897887314280E+02 -0.40628E-05 -0.10179E-06 496 0.501E-03
1 F= -.89788731E+02 E0= -.89794752E+02 d E =0.180628E-01