./iterations/neb0_image09_iter194_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 0.374250397538E+03 0.37425E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326031232588E+01 -0.37099E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.966476207936E+02 -0.99908E+02 -0.99576E+02 653 0.117E+02
DAV: 4 -0.101262388077E+03 -0.46148E+01 -0.46041E+01 720 0.291E+01
DAV: 5 -0.101353357219E+03 -0.90969E-01 -0.90928E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926783053531E+02 0.86751E+01 -0.30968E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918098936652E+02 0.86841E+00 -0.17206E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914345631925E+02 0.37533E+00 -0.54123E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913528309566E+02 0.81732E-01 -0.13188E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913445551808E+02 0.82758E-02 -0.44329E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913488975425E+02 -0.43424E-02 -0.11898E-02 616 0.569E-01 0.132E-01
DAV: 12 -0.913521051502E+02 -0.32076E-02 -0.28546E-03 615 0.246E-01 0.108E-01
DAV: 13 -0.913556462234E+02 -0.35411E-02 -0.12230E-03 661 0.191E-01 0.445E-02
DAV: 14 -0.913589594747E+02 -0.33133E-02 -0.73974E-04 664 0.152E-01 0.371E-02
DAV: 15 -0.913602182673E+02 -0.12588E-02 -0.13146E-04 752 0.790E-02 0.334E-02
DAV: 16 -0.913617017097E+02 -0.14834E-02 -0.33219E-04 648 0.915E-02 0.168E-02
DAV: 17 -0.913621485184E+02 -0.44681E-03 -0.69318E-05 704 0.575E-02 0.130E-02
DAV: 18 -0.913623681152E+02 -0.21960E-03 -0.35276E-05 581 0.269E-02 0.901E-03
DAV: 19 -0.913624410758E+02 -0.72961E-04 -0.94895E-06 480 0.159E-02 0.422E-03
DAV: 20 -0.913624747148E+02 -0.33639E-04 -0.65725E-06 432 0.166E-02 0.165E-03
DAV: 21 -0.913624903518E+02 -0.15637E-04 -0.30392E-06 453 0.791E-03 0.224E-03
DAV: 22 -0.913624932176E+02 -0.28658E-05 -0.53089E-07 496 0.444E-03
1 F= -.91362493E+02 E0= -.91367257E+02 d E =0.142906E-01