./iterations/neb0_image01_iter26_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 0.365949906278E+03 0.36595E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.299468529534E+01 -0.36296E+03 -0.34977E+03 847 0.195E+02
DAV: 3 -0.956664965088E+02 -0.98661E+02 -0.98319E+02 672 0.116E+02
DAV: 4 -0.100162173342E+03 -0.44957E+01 -0.44857E+01 685 0.286E+01
DAV: 5 -0.100250808298E+03 -0.88635E-01 -0.88581E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916092426812E+02 0.86416E+01 -0.31272E+01 701 0.299E+01 0.116E+01
DAV: 7 -0.908040860640E+02 0.80516E+00 -0.18292E+00 720 0.634E+00 0.483E+00
DAV: 8 -0.904231140857E+02 0.38097E+00 -0.55809E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903359779685E+02 0.87136E-01 -0.13941E-01 712 0.167E+00 0.432E-01
DAV: 10 -0.903302014121E+02 0.57766E-02 -0.45030E-02 728 0.125E+00 0.316E-01
DAV: 11 -0.903339250402E+02 -0.37236E-02 -0.65581E-03 616 0.473E-01 0.147E-01
DAV: 12 -0.903374545477E+02 -0.35295E-02 -0.72587E-03 610 0.491E-01 0.130E-01
DAV: 13 -0.903400968818E+02 -0.26423E-02 -0.15174E-03 856 0.318E-01 0.752E-02
DAV: 14 -0.903431066457E+02 -0.30098E-02 -0.13869E-03 626 0.177E-01 0.576E-02
DAV: 15 -0.903451356446E+02 -0.20290E-02 -0.31380E-04 688 0.106E-01 0.425E-02
DAV: 16 -0.903466384863E+02 -0.15028E-02 -0.74363E-04 645 0.160E-01 0.363E-02
DAV: 17 -0.903473740675E+02 -0.73558E-03 -0.12498E-04 688 0.828E-02 0.240E-02
DAV: 18 -0.903476484413E+02 -0.27437E-03 -0.82279E-05 669 0.461E-02 0.953E-03
DAV: 19 -0.903478178615E+02 -0.16942E-03 -0.25037E-05 509 0.253E-02 0.397E-03
DAV: 20 -0.903478696407E+02 -0.51779E-04 -0.81303E-06 472 0.149E-02 0.653E-03
DAV: 21 -0.903479195466E+02 -0.49906E-04 -0.82044E-06 433 0.156E-02 0.349E-03
DAV: 22 -0.903479249431E+02 -0.53965E-05 -0.59560E-06 520 0.139E-02
1 F= -.90347925E+02 E0= -.90353268E+02 d E =0.160305E-01