iterations/neb0_image07_iter75_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 0.378374635262E+03 0.37837E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.439310736071E+01 -0.37398E+03 -0.36080E+03 869 0.196E+02
DAV: 3 -0.964059899351E+02 -0.10080E+03 -0.10047E+03 672 0.117E+02
DAV: 4 -0.100896715316E+03 -0.44907E+01 -0.44802E+01 704 0.285E+01
DAV: 5 -0.100985008518E+03 -0.88293E-01 -0.88256E-01 728 0.359E+00 0.228E+01
DAV: 6 -0.923455207135E+02 0.86395E+01 -0.30700E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.914678437099E+02 0.87768E+00 -0.16645E+00 736 0.613E+00 0.482E+00
DAV: 8 -0.910842613744E+02 0.38358E+00 -0.55439E-01 696 0.404E+00 0.163E+00
DAV: 9 -0.909997863291E+02 0.84475E-01 -0.13372E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.909902317921E+02 0.95545E-02 -0.49346E-02 720 0.115E+00 0.314E-01
DAV: 11 -0.909947148674E+02 -0.44831E-02 -0.12852E-02 616 0.605E-01 0.138E-01
DAV: 12 -0.909978670504E+02 -0.31522E-02 -0.38601E-03 616 0.289E-01 0.154E-01
DAV: 13 -0.910015138377E+02 -0.36468E-02 -0.31523E-03 725 0.347E-01 0.577E-02
DAV: 14 -0.910039452532E+02 -0.24314E-02 -0.60231E-04 664 0.118E-01 0.598E-02
DAV: 15 -0.910067158444E+02 -0.27706E-02 -0.33586E-04 639 0.862E-02 0.369E-02
DAV: 16 -0.910079830888E+02 -0.12672E-02 -0.52407E-04 669 0.115E-01 0.337E-02
DAV: 17 -0.910085049242E+02 -0.52184E-03 -0.14713E-04 664 0.716E-02 0.106E-02
DAV: 18 -0.910086858315E+02 -0.18091E-03 -0.29587E-05 589 0.259E-02 0.604E-03
DAV: 19 -0.910087444372E+02 -0.58606E-04 -0.61217E-06 472 0.149E-02 0.204E-03
DAV: 20 -0.910087889203E+02 -0.44483E-04 -0.52609E-06 414 0.929E-03 0.228E-03
DAV: 21 -0.910087996232E+02 -0.10703E-04 -0.11601E-06 496 0.542E-03 0.164E-03
DAV: 22 -0.910088054514E+02 -0.58282E-05 -0.20875E-06 383 0.888E-03
1 F= -.91008805E+02 E0= -.91014042E+02 d E =0.157093E-01