iterations/neb0_image04_iter48_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 0.371052035377E+03 0.37105E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.481436091440E+01 -0.36624E+03 -0.35354E+03 861 0.195E+02
DAV: 3 -0.951105350737E+02 -0.99925E+02 -0.99581E+02 685 0.116E+02
DAV: 4 -0.995920280408E+02 -0.44815E+01 -0.44654E+01 712 0.278E+01
DAV: 5 -0.996810553683E+02 -0.89027E-01 -0.88981E-01 728 0.351E+00 0.222E+01
DAV: 6 -0.911706740437E+02 0.85104E+01 -0.30061E+01 703 0.296E+01 0.116E+01
DAV: 7 -0.903148566737E+02 0.85582E+00 -0.17453E+00 712 0.632E+00 0.483E+00
DAV: 8 -0.899097408454E+02 0.40512E+00 -0.58562E-01 704 0.438E+00 0.165E+00
DAV: 9 -0.898162460998E+02 0.93495E-01 -0.12777E-01 720 0.187E+00 0.465E-01
DAV: 10 -0.898064534408E+02 0.97927E-02 -0.38199E-02 720 0.106E+00 0.330E-01
DAV: 11 -0.898070788400E+02 -0.62540E-03 -0.62231E-03 704 0.444E-01 0.129E-01
DAV: 12 -0.898093765586E+02 -0.22977E-02 -0.34303E-03 629 0.340E-01 0.118E-01
DAV: 13 -0.898136660698E+02 -0.42895E-02 -0.26484E-03 797 0.424E-01 0.638E-02
DAV: 14 -0.898178418358E+02 -0.41758E-02 -0.13101E-03 636 0.202E-01 0.608E-02
DAV: 15 -0.898197679228E+02 -0.19261E-02 -0.44466E-04 832 0.153E-01 0.260E-02
DAV: 16 -0.898216315093E+02 -0.18636E-02 -0.27763E-04 650 0.838E-02 0.280E-02
DAV: 17 -0.898224906461E+02 -0.85914E-03 -0.85802E-05 749 0.632E-02 0.134E-02
DAV: 18 -0.898229661845E+02 -0.47554E-03 -0.91802E-05 650 0.583E-02 0.111E-02
DAV: 19 -0.898231246157E+02 -0.15843E-03 -0.15602E-05 477 0.315E-02 0.627E-03
DAV: 20 -0.898232210722E+02 -0.96457E-04 -0.21562E-05 501 0.252E-02 0.355E-03
DAV: 21 -0.898232784048E+02 -0.57333E-04 -0.58382E-06 446 0.163E-02 0.156E-03
DAV: 22 -0.898232968943E+02 -0.18489E-04 -0.30864E-06 461 0.705E-03 0.137E-03
DAV: 23 -0.898233045653E+02 -0.76710E-05 -0.13724E-06 436 0.639E-03
1 F= -.89823305E+02 E0= -.89831134E+02 d E =0.234887E-01