iterations/neb0_image09_iter200_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 0.373988756749E+03 0.37399E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.324937342470E+01 -0.37074E+03 -0.35808E+03 869 0.196E+02
DAV: 3 -0.967254095614E+02 -0.99975E+02 -0.99644E+02 661 0.117E+02
DAV: 4 -0.101258083589E+03 -0.45327E+01 -0.45222E+01 720 0.287E+01
DAV: 5 -0.101346940214E+03 -0.88857E-01 -0.88815E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926757240876E+02 0.86712E+01 -0.31010E+01 722 0.301E+01 0.119E+01
DAV: 7 -0.918091928901E+02 0.86653E+00 -0.17183E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914337713827E+02 0.37542E+00 -0.54248E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913523231825E+02 0.81448E-01 -0.13137E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913440745422E+02 0.82486E-02 -0.44292E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913485131075E+02 -0.44386E-02 -0.12100E-02 616 0.574E-01 0.135E-01
DAV: 12 -0.913516654858E+02 -0.31524E-02 -0.28292E-03 623 0.246E-01 0.107E-01
DAV: 13 -0.913551474395E+02 -0.34820E-02 -0.12889E-03 669 0.193E-01 0.442E-02
DAV: 14 -0.913586614055E+02 -0.35140E-02 -0.78886E-04 656 0.166E-01 0.367E-02
DAV: 15 -0.913597092276E+02 -0.10478E-02 -0.12862E-04 704 0.823E-02 0.341E-02
DAV: 16 -0.913611836813E+02 -0.14745E-02 -0.41748E-04 637 0.111E-01 0.220E-02
DAV: 17 -0.913615708675E+02 -0.38719E-03 -0.82928E-05 744 0.701E-02 0.125E-02
DAV: 18 -0.913617877596E+02 -0.21689E-03 -0.33847E-05 584 0.265E-02 0.959E-03
DAV: 19 -0.913619149154E+02 -0.12716E-03 -0.15043E-05 461 0.193E-02 0.449E-03
DAV: 20 -0.913619589618E+02 -0.44046E-04 -0.78002E-06 448 0.155E-02 0.223E-03
DAV: 21 -0.913619766189E+02 -0.17657E-04 -0.44864E-06 440 0.106E-02 0.215E-03
DAV: 22 -0.913619796999E+02 -0.30810E-05 -0.72954E-07 504 0.508E-03
1 F= -.91361980E+02 E0= -.91366877E+02 d E =0.146915E-01