./iterations/neb0_image03_iter102_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 0.367029855618E+03 0.36703E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.301248886486E+01 -0.36402E+03 -0.35067E+03 845 0.195E+02
DAV: 3 -0.956312972079E+02 -0.98644E+02 -0.98326E+02 664 0.116E+02
DAV: 4 -0.100174810350E+03 -0.45435E+01 -0.45336E+01 712 0.287E+01
DAV: 5 -0.100263515360E+03 -0.88705E-01 -0.88669E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916706021540E+02 0.85929E+01 -0.30662E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908241955369E+02 0.84641E+00 -0.18264E+00 712 0.642E+00 0.483E+00
DAV: 8 -0.904212183648E+02 0.40298E+00 -0.56705E-01 688 0.438E+00 0.168E+00
DAV: 9 -0.903264876745E+02 0.94731E-01 -0.13217E-01 696 0.190E+00 0.469E-01
DAV: 10 -0.903175274192E+02 0.89603E-02 -0.36886E-02 728 0.967E-01 0.339E-01
DAV: 11 -0.903197608235E+02 -0.22334E-02 -0.78588E-03 704 0.638E-01 0.169E-01
DAV: 12 -0.903215319949E+02 -0.17712E-02 -0.33483E-03 634 0.386E-01 0.113E-01
DAV: 13 -0.903258466702E+02 -0.43147E-02 -0.29063E-03 621 0.269E-01 0.843E-02
DAV: 14 -0.903304095971E+02 -0.45629E-02 -0.11330E-03 653 0.165E-01 0.443E-02
DAV: 15 -0.903323151731E+02 -0.19056E-02 -0.23940E-04 824 0.956E-02 0.235E-02
DAV: 16 -0.903341640260E+02 -0.18489E-02 -0.16913E-04 661 0.598E-02 0.150E-02
DAV: 17 -0.903352239060E+02 -0.10599E-02 -0.86400E-05 608 0.413E-02 0.864E-03
DAV: 18 -0.903356075065E+02 -0.38360E-03 -0.53777E-05 600 0.325E-02 0.656E-03
DAV: 19 -0.903356639137E+02 -0.56407E-04 -0.52392E-06 544 0.218E-02 0.400E-03
DAV: 20 -0.903357601722E+02 -0.96259E-04 -0.23276E-05 478 0.257E-02 0.692E-03
DAV: 21 -0.903357773618E+02 -0.17190E-04 -0.42959E-06 488 0.198E-02 0.304E-03
DAV: 22 -0.903357871324E+02 -0.97706E-05 -0.56629E-06 440 0.130E-02
1 F= -.90335787E+02 E0= -.90344428E+02 d E =0.259219E-01