iterations/neb0_image05_iter93_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 0.373781530746E+03 0.37378E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.304182003604E+01 -0.37074E+03 -0.35843E+03 893 0.195E+02
DAV: 3 -0.942385006516E+02 -0.97280E+02 -0.96940E+02 634 0.116E+02
DAV: 4 -0.987748683674E+02 -0.45364E+01 -0.45255E+01 701 0.295E+01
DAV: 5 -0.988731461078E+02 -0.98278E-01 -0.98230E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905321445735E+02 0.83410E+01 -0.28606E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896468442661E+02 0.88530E+00 -0.18042E+00 720 0.671E+00 0.468E+00
DAV: 8 -0.892543807985E+02 0.39246E+00 -0.62580E-01 712 0.452E+00 0.155E+00
DAV: 9 -0.891715029437E+02 0.82878E-01 -0.12333E-01 728 0.166E+00 0.448E-01
DAV: 10 -0.891590573489E+02 0.12446E-01 -0.51583E-02 728 0.124E+00 0.345E-01
DAV: 11 -0.891604119099E+02 -0.13546E-02 -0.11113E-02 629 0.606E-01 0.117E-01
DAV: 12 -0.891624942083E+02 -0.20823E-02 -0.35032E-03 688 0.315E-01 0.127E-01
DAV: 13 -0.891685375680E+02 -0.60434E-02 -0.28430E-03 759 0.376E-01 0.734E-02
DAV: 14 -0.891708901187E+02 -0.23526E-02 -0.80064E-04 696 0.143E-01 0.566E-02
DAV: 15 -0.891738209338E+02 -0.29308E-02 -0.92059E-04 626 0.178E-01 0.352E-02
DAV: 16 -0.891748671841E+02 -0.10463E-02 -0.12907E-04 696 0.642E-02 0.254E-02
DAV: 17 -0.891761374279E+02 -0.12702E-02 -0.22692E-04 614 0.730E-02 0.132E-02
DAV: 18 -0.891764483635E+02 -0.31094E-03 -0.40860E-05 696 0.316E-02 0.104E-02
DAV: 19 -0.891765811011E+02 -0.13274E-03 -0.14137E-05 448 0.248E-02 0.430E-03
DAV: 20 -0.891766994954E+02 -0.11839E-03 -0.32801E-05 529 0.295E-02 0.886E-03
DAV: 21 -0.891767191009E+02 -0.19606E-04 -0.46019E-06 488 0.176E-02 0.454E-03
DAV: 22 -0.891767266987E+02 -0.75978E-05 -0.88560E-06 437 0.165E-02
1 F= -.89176727E+02 E0= -.89180822E+02 d E =0.122869E-01