./iterations/neb0_image01_iter266_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 0.362820006513E+03 0.36282E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.398864097520E+01 -0.35883E+03 -0.34468E+03 820 0.195E+02
DAV: 3 -0.954705469330E+02 -0.99459E+02 -0.99103E+02 664 0.116E+02
DAV: 4 -0.100236515934E+03 -0.47660E+01 -0.47529E+01 696 0.294E+01
DAV: 5 -0.100329524899E+03 -0.93009E-01 -0.92971E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917035282407E+02 0.86260E+01 -0.30939E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908941714888E+02 0.80936E+00 -0.18346E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905154396985E+02 0.37873E+00 -0.55504E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904312562215E+02 0.84183E-01 -0.13560E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.904263782445E+02 0.48780E-02 -0.45599E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904301445680E+02 -0.37663E-02 -0.64606E-03 608 0.489E-01 0.139E-01
DAV: 12 -0.904337496530E+02 -0.36051E-02 -0.72241E-03 626 0.496E-01 0.132E-01
DAV: 13 -0.904363662800E+02 -0.26166E-02 -0.16468E-03 885 0.317E-01 0.749E-02
DAV: 14 -0.904393841293E+02 -0.30178E-02 -0.13001E-03 639 0.171E-01 0.593E-02
DAV: 15 -0.904413460422E+02 -0.19619E-02 -0.37296E-04 680 0.112E-01 0.465E-02
DAV: 16 -0.904428378270E+02 -0.14918E-02 -0.85043E-04 666 0.173E-01 0.361E-02
DAV: 17 -0.904435482330E+02 -0.71041E-03 -0.12939E-04 704 0.816E-02 0.264E-02
DAV: 18 -0.904437999582E+02 -0.25173E-03 -0.10687E-04 664 0.527E-02 0.926E-03
DAV: 19 -0.904439651124E+02 -0.16515E-03 -0.31269E-05 514 0.283E-02 0.580E-03
DAV: 20 -0.904439950295E+02 -0.29917E-04 -0.52749E-06 488 0.157E-02 0.755E-03
DAV: 21 -0.904440296257E+02 -0.34596E-04 -0.62024E-06 417 0.156E-02 0.468E-03
DAV: 22 -0.904440393552E+02 -0.97295E-05 -0.50775E-06 480 0.138E-02
1 F= -.90444039E+02 E0= -.90449571E+02 d E =0.165936E-01