iterations/neb0_image03_iter14_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 0.363417593786E+03 0.36342E+03 -0.14241E+04 624 0.799E+02
DAV: 2 0.448492545987E+01 -0.35893E+03 -0.34607E+03 845 0.194E+02
DAV: 3 -0.944916197459E+02 -0.98977E+02 -0.98593E+02 704 0.115E+02
DAV: 4 -0.989129657608E+02 -0.44213E+01 -0.44099E+01 712 0.269E+01
DAV: 5 -0.990078967474E+02 -0.94931E-01 -0.94874E-01 728 0.342E+00 0.216E+01
DAV: 6 -0.905013582716E+02 0.85065E+01 -0.31033E+01 704 0.298E+01 0.112E+01
DAV: 7 -0.897281336978E+02 0.77322E+00 -0.16974E+00 728 0.649E+00 0.477E+00
DAV: 8 -0.893439217254E+02 0.38421E+00 -0.60536E-01 720 0.450E+00 0.168E+00
DAV: 9 -0.892550011884E+02 0.88921E-01 -0.13322E-01 728 0.169E+00 0.437E-01
DAV: 10 -0.892477455142E+02 0.72557E-02 -0.37199E-02 736 0.952E-01 0.313E-01
DAV: 11 -0.892524978700E+02 -0.47524E-02 -0.11481E-02 608 0.659E-01 0.153E-01
DAV: 12 -0.892536324812E+02 -0.11346E-02 -0.25151E-03 680 0.301E-01 0.114E-01
DAV: 13 -0.892575796142E+02 -0.39471E-02 -0.30640E-03 716 0.352E-01 0.815E-02
DAV: 14 -0.892600403994E+02 -0.24608E-02 -0.61983E-04 672 0.139E-01 0.566E-02
DAV: 15 -0.892625814377E+02 -0.25410E-02 -0.10626E-03 741 0.202E-01 0.390E-02
DAV: 16 -0.892635715374E+02 -0.99010E-03 -0.15126E-04 768 0.886E-02 0.239E-02
DAV: 17 -0.892646272650E+02 -0.10557E-02 -0.26557E-04 772 0.951E-02 0.172E-02
DAV: 18 -0.892650415033E+02 -0.41424E-03 -0.40885E-05 616 0.422E-02 0.103E-02
DAV: 19 -0.892652475658E+02 -0.20606E-03 -0.48305E-05 677 0.354E-02 0.529E-03
DAV: 20 -0.892653523925E+02 -0.10483E-03 -0.77843E-06 464 0.167E-02 0.197E-03
DAV: 21 -0.892653962517E+02 -0.43859E-04 -0.79453E-06 490 0.116E-02 0.218E-03
DAV: 22 -0.892654038948E+02 -0.76431E-05 -0.11582E-06 512 0.609E-03
1 F= -.89265404E+02 E0= -.89276406E+02 d E =0.330060E-01