./iterations/neb0_image05_iter268_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 0.367281669365E+03 0.36728E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.388451105720E+01 -0.36340E+03 -0.34982E+03 853 0.195E+02
DAV: 3 -0.954250517252E+02 -0.99310E+02 -0.98963E+02 653 0.116E+02
DAV: 4 -0.100158767791E+03 -0.47337E+01 -0.47226E+01 712 0.296E+01
DAV: 5 -0.100251093962E+03 -0.92326E-01 -0.92281E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916079737215E+02 0.86431E+01 -0.31161E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907844553323E+02 0.82352E+00 -0.17580E+00 712 0.625E+00 0.483E+00
DAV: 8 -0.904060438539E+02 0.37841E+00 -0.55229E-01 728 0.429E+00 0.167E+00
DAV: 9 -0.903189385317E+02 0.87105E-01 -0.12686E-01 728 0.167E+00 0.432E-01
DAV: 10 -0.903102313745E+02 0.87072E-02 -0.41973E-02 728 0.113E+00 0.325E-01
DAV: 11 -0.903127368110E+02 -0.25054E-02 -0.87518E-03 608 0.786E-01 0.136E-01
DAV: 12 -0.903145127495E+02 -0.17759E-02 -0.55880E-03 656 0.374E-01 0.143E-01
DAV: 13 -0.903176610573E+02 -0.31483E-02 -0.31485E-03 834 0.418E-01 0.993E-02
DAV: 14 -0.903212389255E+02 -0.35779E-02 -0.11089E-03 660 0.176E-01 0.750E-02
DAV: 15 -0.903239494888E+02 -0.27106E-02 -0.74122E-04 701 0.153E-01 0.271E-02
DAV: 16 -0.903261376195E+02 -0.21881E-02 -0.40451E-04 714 0.114E-01 0.393E-02
DAV: 17 -0.903265222163E+02 -0.38460E-03 -0.68190E-05 800 0.753E-02 0.178E-02
DAV: 18 -0.903272804088E+02 -0.75819E-03 -0.22533E-04 633 0.905E-02 0.261E-02
DAV: 19 -0.903275827959E+02 -0.30239E-03 -0.50430E-05 672 0.581E-02 0.997E-03
DAV: 20 -0.903276821895E+02 -0.99394E-04 -0.33534E-05 640 0.297E-02 0.362E-03
DAV: 21 -0.903277678802E+02 -0.85691E-04 -0.69739E-06 406 0.111E-02 0.230E-03
DAV: 22 -0.903278048296E+02 -0.36949E-04 -0.52666E-06 463 0.818E-03 0.206E-03
DAV: 23 -0.903278133365E+02 -0.85069E-05 -0.14051E-06 474 0.626E-03
1 F= -.90327813E+02 E0= -.90336225E+02 d E =0.252360E-01