./iterations/neb0_image02_iter231_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 0.365860662901E+03 0.36586E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.290946315496E+00 -0.36557E+03 -0.35512E+03 877 0.195E+02
DAV: 3 -0.956520709962E+02 -0.95943E+02 -0.95613E+02 629 0.115E+02
DAV: 4 -0.100205874104E+03 -0.45538E+01 -0.45430E+01 712 0.294E+01
DAV: 5 -0.100296467835E+03 -0.90594E-01 -0.90561E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916661727810E+02 0.86303E+01 -0.30915E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908512532565E+02 0.81492E+00 -0.18146E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904707505337E+02 0.38050E+00 -0.55848E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903857083025E+02 0.85042E-01 -0.13442E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903808526210E+02 0.48557E-02 -0.48042E-02 704 0.123E+00 0.329E-01
DAV: 11 -0.903845852389E+02 -0.37326E-02 -0.76809E-03 632 0.612E-01 0.115E-01
DAV: 12 -0.903873575060E+02 -0.27723E-02 -0.58673E-03 632 0.377E-01 0.127E-01
DAV: 13 -0.903902927072E+02 -0.29352E-02 -0.17104E-03 853 0.314E-01 0.831E-02
DAV: 14 -0.903933332365E+02 -0.30405E-02 -0.11509E-03 623 0.153E-01 0.640E-02
DAV: 15 -0.903953320861E+02 -0.19988E-02 -0.36334E-04 680 0.111E-01 0.429E-02
DAV: 16 -0.903966815884E+02 -0.13495E-02 -0.72403E-04 688 0.151E-01 0.360E-02
DAV: 17 -0.903972870831E+02 -0.60549E-03 -0.15367E-04 872 0.827E-02 0.179E-02
DAV: 18 -0.903974628628E+02 -0.17578E-03 -0.41018E-05 696 0.339E-02 0.701E-03
DAV: 19 -0.903977028148E+02 -0.23995E-03 -0.28896E-05 550 0.235E-02 0.416E-03
DAV: 20 -0.903977490812E+02 -0.46266E-04 -0.27504E-06 520 0.963E-03 0.274E-03
DAV: 21 -0.903978038293E+02 -0.54748E-04 -0.94196E-06 412 0.139E-02 0.200E-03
DAV: 22 -0.903978098739E+02 -0.60446E-05 -0.15978E-06 504 0.576E-03
1 F= -.90397810E+02 E0= -.90405179E+02 d E =0.221087E-01