iterations/neb0_image05_iter112_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 0.372585417620E+03 0.37259E+03 -0.14300E+04 632 0.799E+02
DAV: 2 0.368248003681E+01 -0.36890E+03 -0.35666E+03 882 0.194E+02
DAV: 3 -0.940794822069E+02 -0.97762E+02 -0.97398E+02 629 0.116E+02
DAV: 4 -0.987986963375E+02 -0.47192E+01 -0.47069E+01 704 0.301E+01
DAV: 5 -0.989003034869E+02 -0.10161E+00 -0.10155E+00 728 0.392E+00 0.218E+01
DAV: 6 -0.905650688687E+02 0.83352E+01 -0.28660E+01 682 0.288E+01 0.112E+01
DAV: 7 -0.896901046339E+02 0.87496E+00 -0.18008E+00 736 0.668E+00 0.469E+00
DAV: 8 -0.892997643762E+02 0.39034E+00 -0.62368E-01 712 0.448E+00 0.156E+00
DAV: 9 -0.892174868006E+02 0.82278E-01 -0.12495E-01 728 0.167E+00 0.446E-01
DAV: 10 -0.892059138280E+02 0.11573E-01 -0.51450E-02 736 0.122E+00 0.345E-01
DAV: 11 -0.892076393098E+02 -0.17255E-02 -0.12134E-02 656 0.633E-01 0.123E-01
DAV: 12 -0.892093471445E+02 -0.17078E-02 -0.33766E-03 669 0.315E-01 0.126E-01
DAV: 13 -0.892150560723E+02 -0.57089E-02 -0.28981E-03 674 0.368E-01 0.724E-02
DAV: 14 -0.892176634263E+02 -0.26074E-02 -0.85265E-04 696 0.148E-01 0.548E-02
DAV: 15 -0.892206453379E+02 -0.29819E-02 -0.95938E-04 634 0.182E-01 0.350E-02
DAV: 16 -0.892217025259E+02 -0.10572E-02 -0.12683E-04 704 0.703E-02 0.244E-02
DAV: 17 -0.892227980516E+02 -0.10955E-02 -0.19992E-04 649 0.709E-02 0.108E-02
DAV: 18 -0.892232643198E+02 -0.46627E-03 -0.47258E-05 613 0.371E-02 0.667E-03
DAV: 19 -0.892233867384E+02 -0.12242E-03 -0.10461E-05 488 0.179E-02 0.386E-03
DAV: 20 -0.892234884816E+02 -0.10174E-03 -0.18945E-05 487 0.221E-02 0.536E-03
DAV: 21 -0.892235181409E+02 -0.29659E-04 -0.39143E-06 480 0.114E-02 0.330E-03
DAV: 22 -0.892235252391E+02 -0.70982E-05 -0.39468E-06 472 0.109E-02
1 F= -.89223525E+02 E0= -.89227460E+02 d E =0.118046E-01