iterations/neb0_image02_iter172_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 0.363747327837E+03 0.36375E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.189087154210E+01 -0.36186E+03 -0.34993E+03 847 0.195E+02
DAV: 3 -0.956786307026E+02 -0.97570E+02 -0.97241E+02 656 0.115E+02
DAV: 4 -0.100229989331E+03 -0.45514E+01 -0.45406E+01 712 0.288E+01
DAV: 5 -0.100319715165E+03 -0.89726E-01 -0.89694E-01 760 0.363E+00 0.222E+01
DAV: 6 -0.916749929790E+02 0.86447E+01 -0.31056E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908613640021E+02 0.81363E+00 -0.18438E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904805151905E+02 0.38085E+00 -0.55669E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903934729481E+02 0.87042E-01 -0.13689E-01 712 0.167E+00 0.430E-01
DAV: 10 -0.903879284533E+02 0.55445E-02 -0.50156E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903914675318E+02 -0.35391E-02 -0.76934E-03 616 0.569E-01 0.129E-01
DAV: 12 -0.903946796309E+02 -0.32121E-02 -0.75607E-03 648 0.453E-01 0.140E-01
DAV: 13 -0.903971105805E+02 -0.24309E-02 -0.20391E-03 880 0.357E-01 0.827E-02
DAV: 14 -0.904002817456E+02 -0.31712E-02 -0.14609E-03 642 0.179E-01 0.705E-02
DAV: 15 -0.904022063649E+02 -0.19246E-02 -0.33844E-04 664 0.105E-01 0.549E-02
DAV: 16 -0.904037068927E+02 -0.15005E-02 -0.10823E-03 672 0.194E-01 0.399E-02
DAV: 17 -0.904044330239E+02 -0.72613E-03 -0.15639E-04 736 0.860E-02 0.271E-02
DAV: 18 -0.904047604442E+02 -0.32742E-03 -0.92257E-05 680 0.453E-02 0.997E-03
DAV: 19 -0.904049218730E+02 -0.16143E-03 -0.39823E-05 661 0.319E-02 0.695E-03
DAV: 20 -0.904049528888E+02 -0.31016E-04 -0.36707E-06 520 0.138E-02 0.539E-03
DAV: 21 -0.904050066642E+02 -0.53775E-04 -0.10336E-05 414 0.160E-02 0.305E-03
DAV: 22 -0.904050123525E+02 -0.56883E-05 -0.36334E-06 488 0.110E-02
1 F= -.90405012E+02 E0= -.90411559E+02 d E =0.196404E-01