iterations/neb0_image02_iter129_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 0.364618129703E+03 0.36462E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.390384060321E+01 -0.36071E+03 -0.34629E+03 834 0.195E+02
DAV: 3 -0.955989843690E+02 -0.99503E+02 -0.99170E+02 672 0.116E+02
DAV: 4 -0.100213804923E+03 -0.46148E+01 -0.46035E+01 720 0.285E+01
DAV: 5 -0.100302377820E+03 -0.88573E-01 -0.88533E-01 736 0.356E+00 0.222E+01
DAV: 6 -0.916750938352E+02 0.86273E+01 -0.30949E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908578214333E+02 0.81727E+00 -0.18474E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904746037018E+02 0.38322E+00 -0.55504E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903856824404E+02 0.88921E-01 -0.13994E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903797135436E+02 0.59689E-02 -0.48274E-02 704 0.131E+00 0.325E-01
DAV: 11 -0.903831726025E+02 -0.34591E-02 -0.70111E-03 608 0.496E-01 0.156E-01
DAV: 12 -0.903865846068E+02 -0.34120E-02 -0.81337E-03 632 0.505E-01 0.136E-01
DAV: 13 -0.903893933857E+02 -0.28088E-02 -0.17840E-03 960 0.351E-01 0.818E-02
DAV: 14 -0.903923746027E+02 -0.29812E-02 -0.13226E-03 637 0.170E-01 0.598E-02
DAV: 15 -0.903946479699E+02 -0.22734E-02 -0.41072E-04 664 0.110E-01 0.446E-02
DAV: 16 -0.903961015268E+02 -0.14536E-02 -0.65655E-04 664 0.146E-01 0.312E-02
DAV: 17 -0.903969555587E+02 -0.85403E-03 -0.13418E-04 661 0.752E-02 0.232E-02
DAV: 18 -0.903971604899E+02 -0.20493E-03 -0.63172E-05 672 0.400E-02 0.979E-03
DAV: 19 -0.903973274947E+02 -0.16700E-03 -0.27812E-05 522 0.272E-02 0.354E-03
DAV: 20 -0.903973779115E+02 -0.50417E-04 -0.47921E-06 469 0.120E-02 0.501E-03
DAV: 21 -0.903974110617E+02 -0.33150E-04 -0.51103E-06 445 0.138E-02 0.504E-03
DAV: 22 -0.903974295761E+02 -0.18514E-04 -0.43729E-06 469 0.124E-02 0.307E-03
DAV: 23 -0.903974320992E+02 -0.25231E-05 -0.37224E-06 512 0.112E-02
1 F= -.90397432E+02 E0= -.90403609E+02 d E =0.185310E-01