iterations/neb0_image06_iter147_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 0.371824307041E+03 0.37182E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.375160640496E+01 -0.36807E+03 -0.35625E+03 874 0.193E+02
DAV: 3 -0.959267636268E+02 -0.99678E+02 -0.99331E+02 693 0.116E+02
DAV: 4 -0.100372039220E+03 -0.44453E+01 -0.44329E+01 696 0.277E+01
DAV: 5 -0.100459494212E+03 -0.87455E-01 -0.87413E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.918901519419E+02 0.85693E+01 -0.30518E+01 704 0.303E+01 0.119E+01
DAV: 7 -0.910552445143E+02 0.83491E+00 -0.17173E+00 704 0.632E+00 0.481E+00
DAV: 8 -0.906787256135E+02 0.37652E+00 -0.55352E-01 720 0.416E+00 0.168E+00
DAV: 9 -0.905908995587E+02 0.87826E-01 -0.12829E-01 712 0.161E+00 0.427E-01
DAV: 10 -0.905812394278E+02 0.96601E-02 -0.33735E-02 728 0.909E-01 0.280E-01
DAV: 11 -0.905853352765E+02 -0.40958E-02 -0.89922E-03 610 0.493E-01 0.146E-01
DAV: 12 -0.905877023073E+02 -0.23670E-02 -0.16872E-03 650 0.241E-01 0.851E-02
DAV: 13 -0.905918974674E+02 -0.41952E-02 -0.17685E-03 609 0.200E-01 0.605E-02
DAV: 14 -0.905947746904E+02 -0.28772E-02 -0.75365E-04 888 0.206E-01 0.350E-02
DAV: 15 -0.905968656475E+02 -0.20910E-02 -0.33508E-04 621 0.945E-02 0.365E-02
DAV: 16 -0.905979773128E+02 -0.11117E-02 -0.24592E-04 752 0.984E-02 0.182E-02
DAV: 17 -0.905989732747E+02 -0.99596E-03 -0.16452E-04 631 0.634E-02 0.159E-02
DAV: 18 -0.905992134627E+02 -0.24019E-03 -0.19431E-05 504 0.242E-02 0.948E-03
DAV: 19 -0.905993733978E+02 -0.15994E-03 -0.46865E-05 614 0.336E-02 0.606E-03
DAV: 20 -0.905993850734E+02 -0.11676E-04 -0.36107E-06 536 0.122E-02 0.395E-03
DAV: 21 -0.905994143069E+02 -0.29233E-04 -0.96246E-06 403 0.170E-02 0.344E-03
DAV: 22 -0.905994217826E+02 -0.74757E-05 -0.15782E-06 450 0.712E-03
1 F= -.90599422E+02 E0= -.90603358E+02 d E =0.118087E-01