iterations/neb0_image03_iter37_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 0.369310967632E+03 0.36931E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.431354289218E+01 -0.36500E+03 -0.35187E+03 845 0.195E+02
DAV: 3 -0.954050065154E+02 -0.99719E+02 -0.99385E+02 672 0.116E+02
DAV: 4 -0.100019391521E+03 -0.46144E+01 -0.46048E+01 712 0.286E+01
DAV: 5 -0.100107686721E+03 -0.88295E-01 -0.88250E-01 728 0.357E+00 0.224E+01
DAV: 6 -0.914220647159E+02 0.86856E+01 -0.30563E+01 677 0.298E+01 0.117E+01
DAV: 7 -0.905549185023E+02 0.86715E+00 -0.18212E+00 704 0.636E+00 0.481E+00
DAV: 8 -0.901519933037E+02 0.40293E+00 -0.54937E-01 704 0.422E+00 0.169E+00
DAV: 9 -0.900549604300E+02 0.97033E-01 -0.14540E-01 696 0.171E+00 0.445E-01
DAV: 10 -0.900465918078E+02 0.83686E-02 -0.41612E-02 704 0.119E+00 0.328E-01
DAV: 11 -0.900499544775E+02 -0.33627E-02 -0.77680E-03 605 0.548E-01 0.126E-01
DAV: 12 -0.900525180696E+02 -0.25636E-02 -0.45681E-03 610 0.314E-01 0.111E-01
DAV: 13 -0.900562614859E+02 -0.37434E-02 -0.12552E-03 904 0.280E-01 0.742E-02
DAV: 14 -0.900594762206E+02 -0.32147E-02 -0.86630E-04 645 0.143E-01 0.504E-02
DAV: 15 -0.900623651334E+02 -0.28889E-02 -0.42281E-04 674 0.108E-01 0.264E-02
DAV: 16 -0.900638284691E+02 -0.14633E-02 -0.18621E-04 672 0.650E-02 0.198E-02
DAV: 17 -0.900649752083E+02 -0.11467E-02 -0.14446E-04 652 0.691E-02 0.928E-03
DAV: 18 -0.900652083838E+02 -0.23318E-03 -0.40206E-05 605 0.335E-02 0.132E-02
DAV: 19 -0.900652782229E+02 -0.69839E-04 -0.19077E-05 536 0.333E-02 0.576E-03
DAV: 20 -0.900653222553E+02 -0.44032E-04 -0.10078E-05 458 0.221E-02 0.298E-03
DAV: 21 -0.900653931856E+02 -0.70930E-04 -0.10172E-05 415 0.131E-02 0.303E-03
DAV: 22 -0.900654048690E+02 -0.11683E-04 -0.17798E-06 485 0.612E-03 0.219E-03
DAV: 23 -0.900654114178E+02 -0.65488E-05 -0.26112E-06 412 0.105E-02
1 F= -.90065411E+02 E0= -.90076347E+02 d E =0.328061E-01