iterations/neb0_image08_iter139_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 0.375178683950E+03 0.37518E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.346762817454E+01 -0.37171E+03 -0.35932E+03 869 0.196E+02
DAV: 3 -0.968294403255E+02 -0.10030E+03 -0.99976E+02 677 0.117E+02
DAV: 4 -0.101235779617E+03 -0.44063E+01 -0.43956E+01 728 0.280E+01
DAV: 5 -0.101321454811E+03 -0.85675E-01 -0.85644E-01 736 0.352E+00 0.228E+01
DAV: 6 -0.926491279450E+02 0.86723E+01 -0.30842E+01 698 0.300E+01 0.119E+01
DAV: 7 -0.917726426701E+02 0.87649E+00 -0.17188E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913936735507E+02 0.37897E+00 -0.55331E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913137343064E+02 0.79939E-01 -0.13254E-01 704 0.157E+00 0.423E-01
DAV: 10 -0.913056725301E+02 0.80618E-02 -0.46608E-02 776 0.114E+00 0.306E-01
DAV: 11 -0.913100628282E+02 -0.43903E-02 -0.12738E-02 608 0.594E-01 0.133E-01
DAV: 12 -0.913131969481E+02 -0.31341E-02 -0.30622E-03 622 0.257E-01 0.118E-01
DAV: 13 -0.913167071268E+02 -0.35102E-02 -0.13325E-03 709 0.210E-01 0.455E-02
DAV: 14 -0.913196980071E+02 -0.29909E-02 -0.65700E-04 664 0.136E-01 0.409E-02
DAV: 15 -0.913215949999E+02 -0.18970E-02 -0.21610E-04 720 0.892E-02 0.422E-02
DAV: 16 -0.913227037608E+02 -0.11088E-02 -0.40443E-04 645 0.100E-01 0.199E-02
DAV: 17 -0.913231046457E+02 -0.40088E-03 -0.71468E-05 744 0.563E-02 0.147E-02
DAV: 18 -0.913233612913E+02 -0.25665E-03 -0.44160E-05 626 0.292E-02 0.106E-02
DAV: 19 -0.913234143227E+02 -0.53031E-04 -0.58805E-06 496 0.154E-02 0.503E-03
DAV: 20 -0.913234562457E+02 -0.41923E-04 -0.11272E-05 412 0.208E-02 0.281E-03
DAV: 21 -0.913234689980E+02 -0.12752E-04 -0.26178E-06 472 0.865E-03 0.287E-03
DAV: 22 -0.913234741413E+02 -0.51433E-05 -0.82772E-07 420 0.524E-03
1 F= -.91323474E+02 E0= -.91328429E+02 d E =0.148650E-01