./iterations/neb0_image02_iter115_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 0.364799579380E+03 0.36480E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.397504523226E+01 -0.36082E+03 -0.34623E+03 834 0.194E+02
DAV: 3 -0.956144529193E+02 -0.99589E+02 -0.99257E+02 680 0.116E+02
DAV: 4 -0.100194868419E+03 -0.45804E+01 -0.45693E+01 712 0.282E+01
DAV: 5 -0.100283586234E+03 -0.88718E-01 -0.88681E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.916713072299E+02 0.86123E+01 -0.30914E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908509421251E+02 0.82037E+00 -0.18380E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904660859887E+02 0.38486E+00 -0.55978E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.903766788203E+02 0.89407E-01 -0.13845E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903704806732E+02 0.61981E-02 -0.48403E-02 704 0.129E+00 0.325E-01
DAV: 11 -0.903741064279E+02 -0.36258E-02 -0.73032E-03 608 0.497E-01 0.147E-01
DAV: 12 -0.903775227488E+02 -0.34163E-02 -0.76535E-03 624 0.483E-01 0.135E-01
DAV: 13 -0.903801663695E+02 -0.26436E-02 -0.16623E-03 936 0.342E-01 0.802E-02
DAV: 14 -0.903832676219E+02 -0.31013E-02 -0.14014E-03 637 0.179E-01 0.596E-02
DAV: 15 -0.903854985679E+02 -0.22309E-02 -0.37075E-04 680 0.107E-01 0.449E-02
DAV: 16 -0.903869770817E+02 -0.14785E-02 -0.70464E-04 653 0.152E-01 0.329E-02
DAV: 17 -0.903878480935E+02 -0.87101E-03 -0.15526E-04 701 0.860E-02 0.216E-02
DAV: 18 -0.903880096134E+02 -0.16152E-03 -0.55800E-05 704 0.381E-02 0.103E-02
DAV: 19 -0.903881859338E+02 -0.17632E-03 -0.30224E-05 522 0.284E-02 0.357E-03
DAV: 20 -0.903882389074E+02 -0.52974E-04 -0.51689E-06 469 0.134E-02 0.463E-03
DAV: 21 -0.903882718116E+02 -0.32904E-04 -0.57141E-06 437 0.145E-02 0.527E-03
DAV: 22 -0.903882942346E+02 -0.22423E-04 -0.50183E-06 466 0.137E-02 0.283E-03
DAV: 23 -0.903882962964E+02 -0.20618E-05 -0.40393E-06 544 0.111E-02
1 F= -.90388296E+02 E0= -.90393959E+02 d E =0.169879E-01