./iterations/neb0_image08_iter65_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 0.376591075353E+03 0.37659E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.386539047254E+01 -0.37273E+03 -0.35907E+03 869 0.196E+02
DAV: 3 -0.967893383381E+02 -0.10065E+03 -0.10033E+03 688 0.117E+02
DAV: 4 -0.101133411042E+03 -0.43441E+01 -0.43343E+01 696 0.276E+01
DAV: 5 -0.101218184924E+03 -0.84774E-01 -0.84737E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.925737806792E+02 0.86444E+01 -0.30827E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916991734897E+02 0.87461E+00 -0.16894E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913181347888E+02 0.38104E+00 -0.55781E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912339544403E+02 0.84180E-01 -0.12955E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912243525037E+02 0.96019E-02 -0.48292E-02 720 0.113E+00 0.312E-01
DAV: 11 -0.912293430336E+02 -0.49905E-02 -0.15295E-02 608 0.638E-01 0.168E-01
DAV: 12 -0.912321773483E+02 -0.28343E-02 -0.33098E-03 630 0.250E-01 0.136E-01
DAV: 13 -0.912361430049E+02 -0.39657E-02 -0.26755E-03 677 0.297E-01 0.523E-02
DAV: 14 -0.912390712899E+02 -0.29283E-02 -0.49617E-04 656 0.117E-01 0.395E-02
DAV: 15 -0.912412789925E+02 -0.22077E-02 -0.19029E-04 605 0.594E-02 0.319E-02
DAV: 16 -0.912424013348E+02 -0.11223E-02 -0.34271E-04 666 0.910E-02 0.236E-02
DAV: 17 -0.912426424968E+02 -0.24116E-03 -0.33687E-05 616 0.420E-02 0.151E-02
DAV: 18 -0.912429032596E+02 -0.26076E-03 -0.67346E-05 620 0.395E-02 0.919E-03
DAV: 19 -0.912429387257E+02 -0.35466E-04 -0.68687E-06 512 0.238E-02 0.430E-03
DAV: 20 -0.912429744343E+02 -0.35709E-04 -0.14856E-05 404 0.232E-02 0.479E-03
DAV: 21 -0.912429945652E+02 -0.20131E-04 -0.30635E-06 472 0.914E-03 0.438E-03
DAV: 22 -0.912430004122E+02 -0.58471E-05 -0.13009E-06 434 0.807E-03
1 F= -.91243000E+02 E0= -.91248031E+02 d E =0.150927E-01