iterations/neb0_image09_iter190_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 0.374267915064E+03 0.37427E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326557387767E+01 -0.37100E+03 -0.35828E+03 869 0.196E+02
DAV: 3 -0.966402171978E+02 -0.99906E+02 -0.99574E+02 653 0.117E+02
DAV: 4 -0.101256040065E+03 -0.46158E+01 -0.46051E+01 720 0.291E+01
DAV: 5 -0.101347090980E+03 -0.91051E-01 -0.91010E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926767596077E+02 0.86703E+01 -0.30954E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918086691129E+02 0.86809E+00 -0.17165E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914336610380E+02 0.37501E+00 -0.54215E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913521061420E+02 0.81555E-01 -0.13175E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913438558217E+02 0.82503E-02 -0.44064E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913481803852E+02 -0.43246E-02 -0.11667E-02 616 0.563E-01 0.131E-01
DAV: 12 -0.913514200489E+02 -0.32397E-02 -0.28626E-03 615 0.246E-01 0.107E-01
DAV: 13 -0.913549441595E+02 -0.35241E-02 -0.11428E-03 669 0.185E-01 0.446E-02
DAV: 14 -0.913582411329E+02 -0.32970E-02 -0.75478E-04 664 0.150E-01 0.386E-02
DAV: 15 -0.913595060258E+02 -0.12649E-02 -0.14391E-04 752 0.849E-02 0.336E-02
DAV: 16 -0.913609857093E+02 -0.14797E-02 -0.32714E-04 648 0.884E-02 0.167E-02
DAV: 17 -0.913614366770E+02 -0.45097E-03 -0.71911E-05 728 0.570E-02 0.129E-02
DAV: 18 -0.913616790870E+02 -0.24241E-03 -0.38716E-05 565 0.274E-02 0.842E-03
DAV: 19 -0.913617279207E+02 -0.48834E-04 -0.73221E-06 504 0.144E-02 0.417E-03
DAV: 20 -0.913617573381E+02 -0.29417E-04 -0.52846E-06 421 0.147E-02 0.127E-03
DAV: 21 -0.913617743940E+02 -0.17056E-04 -0.28344E-06 450 0.769E-03 0.209E-03
DAV: 22 -0.913617777756E+02 -0.33816E-05 -0.52454E-07 496 0.390E-03
1 F= -.91361778E+02 E0= -.91366567E+02 d E =0.143679E-01