./iterations/neb0_image08_iter245_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 0.374778044859E+03 0.37478E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.377876360394E+01 -0.37100E+03 -0.35853E+03 869 0.196E+02
DAV: 3 -0.968276564732E+02 -0.10061E+03 -0.10029E+03 672 0.117E+02
DAV: 4 -0.101325365393E+03 -0.44977E+01 -0.44853E+01 720 0.284E+01
DAV: 5 -0.101411883185E+03 -0.86518E-01 -0.86470E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926784244339E+02 0.87335E+01 -0.30957E+01 725 0.300E+01 0.120E+01
DAV: 7 -0.917924151578E+02 0.88601E+00 -0.17384E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914140469293E+02 0.37837E+00 -0.54527E-01 712 0.397E+00 0.161E+00
DAV: 9 -0.913346826027E+02 0.79364E-01 -0.13435E-01 728 0.156E+00 0.421E-01
DAV: 10 -0.913268944192E+02 0.77882E-02 -0.47150E-02 736 0.113E+00 0.310E-01
DAV: 11 -0.913318828744E+02 -0.49885E-02 -0.16440E-02 616 0.667E-01 0.164E-01
DAV: 12 -0.913346161644E+02 -0.27333E-02 -0.30684E-03 628 0.238E-01 0.117E-01
DAV: 13 -0.913383664874E+02 -0.37503E-02 -0.32429E-03 645 0.299E-01 0.638E-02
DAV: 14 -0.913414583742E+02 -0.30919E-02 -0.10450E-03 661 0.182E-01 0.275E-02
DAV: 15 -0.913428991824E+02 -0.14408E-02 -0.17724E-04 672 0.704E-02 0.156E-02
DAV: 16 -0.913439885034E+02 -0.10893E-02 -0.13246E-04 647 0.586E-02 0.100E-02
DAV: 17 -0.913443431784E+02 -0.35468E-03 -0.30465E-05 600 0.249E-02 0.879E-03
DAV: 18 -0.913444973601E+02 -0.15418E-03 -0.19017E-05 501 0.272E-02 0.354E-03
DAV: 19 -0.913445773369E+02 -0.79977E-04 -0.10295E-05 445 0.131E-02 0.355E-03
DAV: 20 -0.913445926133E+02 -0.15276E-04 -0.22021E-06 528 0.838E-03 0.165E-03
DAV: 21 -0.913446077480E+02 -0.15135E-04 -0.43315E-06 406 0.122E-02 0.282E-03
DAV: 22 -0.913446082849E+02 -0.53691E-06 -0.85870E-07 512 0.567E-03
1 F= -.91344608E+02 E0= -.91349723E+02 d E =0.153451E-01