./iterations/neb0_image08_iter117_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 0.375749999958E+03 0.37575E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.335950516344E+01 -0.37239E+03 -0.35952E+03 869 0.196E+02
DAV: 3 -0.968102123535E+02 -0.10017E+03 -0.99833E+02 674 0.117E+02
DAV: 4 -0.101212246280E+03 -0.44020E+01 -0.43912E+01 712 0.278E+01
DAV: 5 -0.101298711003E+03 -0.86465E-01 -0.86432E-01 736 0.351E+00 0.228E+01
DAV: 6 -0.926275396522E+02 0.86712E+01 -0.30840E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917528654374E+02 0.87467E+00 -0.17195E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913743392454E+02 0.37853E+00 -0.54941E-01 704 0.400E+00 0.164E+00
DAV: 9 -0.912911983508E+02 0.83141E-01 -0.13266E-01 720 0.157E+00 0.425E-01
DAV: 10 -0.912823893811E+02 0.88090E-02 -0.47341E-02 760 0.114E+00 0.308E-01
DAV: 11 -0.912871154613E+02 -0.47261E-02 -0.14493E-02 613 0.630E-01 0.155E-01
DAV: 12 -0.912898497169E+02 -0.27343E-02 -0.29370E-03 600 0.248E-01 0.117E-01
DAV: 13 -0.912935813397E+02 -0.37316E-02 -0.18402E-03 647 0.231E-01 0.468E-02
DAV: 14 -0.912970950121E+02 -0.35137E-02 -0.72976E-04 664 0.165E-01 0.342E-02
DAV: 15 -0.912984269214E+02 -0.13319E-02 -0.20182E-04 664 0.863E-02 0.391E-02
DAV: 16 -0.912996180665E+02 -0.11911E-02 -0.36459E-04 650 0.106E-01 0.185E-02
DAV: 17 -0.913000535802E+02 -0.43551E-03 -0.57387E-05 672 0.507E-02 0.160E-02
DAV: 18 -0.913002651878E+02 -0.21161E-03 -0.39659E-05 640 0.326E-02 0.118E-02
DAV: 19 -0.913004112550E+02 -0.14607E-03 -0.16274E-05 445 0.203E-02 0.504E-03
DAV: 20 -0.913004475074E+02 -0.36252E-04 -0.83144E-06 488 0.148E-02 0.232E-03
DAV: 21 -0.913004700400E+02 -0.22533E-04 -0.36528E-06 409 0.104E-02 0.155E-03
DAV: 22 -0.913004779473E+02 -0.79073E-05 -0.14968E-06 461 0.492E-03
1 F= -.91300478E+02 E0= -.91305407E+02 d E =0.147879E-01