./iterations/neb0_image08_iter2_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 0.370512890398E+03 0.37051E+03 -0.14248E+04 624 0.799E+02
DAV: 2 0.507058393836E+01 -0.36544E+03 -0.35310E+03 872 0.194E+02
DAV: 3 -0.940802623973E+02 -0.99151E+02 -0.98715E+02 672 0.116E+02
DAV: 4 -0.986505139111E+02 -0.45703E+01 -0.45607E+01 688 0.284E+01
DAV: 5 -0.987403063995E+02 -0.89792E-01 -0.89758E-01 712 0.360E+00 0.227E+01
DAV: 6 -0.898443828422E+02 0.88959E+01 -0.31275E+01 695 0.308E+01 0.119E+01
DAV: 7 -0.889840408625E+02 0.86034E+00 -0.16366E+00 720 0.665E+00 0.497E+00
DAV: 8 -0.885882979746E+02 0.39574E+00 -0.65774E-01 704 0.457E+00 0.169E+00
DAV: 9 -0.884986437523E+02 0.89654E-01 -0.13895E-01 752 0.189E+00 0.517E-01
DAV: 10 -0.884864262651E+02 0.12217E-01 -0.22284E-02 760 0.796E-01 0.284E-01
DAV: 11 -0.884864680388E+02 -0.41774E-04 -0.91486E-03 688 0.609E-01 0.159E-01
DAV: 12 -0.884892548367E+02 -0.27868E-02 -0.50273E-03 671 0.484E-01 0.111E-01
DAV: 13 -0.884933834763E+02 -0.41286E-02 -0.19275E-03 633 0.244E-01 0.908E-02
DAV: 14 -0.884971035226E+02 -0.37200E-02 -0.16823E-03 639 0.213E-01 0.507E-02
DAV: 15 -0.884991250575E+02 -0.20215E-02 -0.36176E-04 744 0.125E-01 0.318E-02
DAV: 16 -0.885009711210E+02 -0.18461E-02 -0.30566E-04 665 0.926E-02 0.206E-02
DAV: 17 -0.885020698003E+02 -0.10987E-02 -0.12653E-04 738 0.616E-02 0.127E-02
DAV: 18 -0.885024474419E+02 -0.37764E-03 -0.61727E-05 680 0.498E-02 0.865E-03
DAV: 19 -0.885026212632E+02 -0.17382E-03 -0.17985E-05 477 0.250E-02 0.645E-03
DAV: 20 -0.885026994615E+02 -0.78198E-04 -0.14110E-05 450 0.212E-02 0.371E-03
DAV: 21 -0.885027439845E+02 -0.44523E-04 -0.73885E-06 445 0.135E-02 0.250E-03
DAV: 22 -0.885027549841E+02 -0.11000E-04 -0.22490E-06 490 0.755E-03 0.165E-03
DAV: 23 -0.885027591961E+02 -0.42121E-05 -0.11626E-06 418 0.593E-03
1 F= -.88502759E+02 E0= -.88506625E+02 d E =0.115979E-01