./iterations/neb0_image01_iter45_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 0.366964936042E+03 0.36696E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349129007474E+01 -0.36347E+03 -0.35006E+03 839 0.195E+02
DAV: 3 -0.956410299281E+02 -0.99132E+02 -0.98789E+02 672 0.116E+02
DAV: 4 -0.100215145269E+03 -0.45741E+01 -0.45644E+01 693 0.287E+01
DAV: 5 -0.100306114334E+03 -0.90969E-01 -0.90918E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916771984989E+02 0.86289E+01 -0.31079E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908575928397E+02 0.81961E+00 -0.18364E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904753830879E+02 0.38221E+00 -0.55885E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903892373653E+02 0.86146E-01 -0.13817E-01 696 0.166E+00 0.430E-01
DAV: 10 -0.903834315474E+02 0.58058E-02 -0.45291E-02 744 0.126E+00 0.316E-01
DAV: 11 -0.903871711259E+02 -0.37396E-02 -0.67752E-03 616 0.475E-01 0.147E-01
DAV: 12 -0.903905716419E+02 -0.34005E-02 -0.66247E-03 613 0.474E-01 0.122E-01
DAV: 13 -0.903934153201E+02 -0.28437E-02 -0.11315E-03 784 0.286E-01 0.781E-02
DAV: 14 -0.903964123944E+02 -0.29971E-02 -0.16990E-03 637 0.200E-01 0.612E-02
DAV: 15 -0.903985838547E+02 -0.21715E-02 -0.45028E-04 768 0.148E-01 0.407E-02
DAV: 16 -0.903997264351E+02 -0.11426E-02 -0.54349E-04 669 0.130E-01 0.343E-02
DAV: 17 -0.904006790229E+02 -0.95259E-03 -0.17166E-04 738 0.854E-02 0.223E-02
DAV: 18 -0.904008632873E+02 -0.18426E-03 -0.50848E-05 704 0.366E-02 0.139E-02
DAV: 19 -0.904011257296E+02 -0.26244E-03 -0.51742E-05 627 0.365E-02 0.401E-03
DAV: 20 -0.904011785986E+02 -0.52869E-04 -0.40892E-06 480 0.113E-02 0.403E-03
DAV: 21 -0.904012242657E+02 -0.45667E-04 -0.50554E-06 405 0.103E-02 0.244E-03
DAV: 22 -0.904012414145E+02 -0.17149E-04 -0.33753E-06 477 0.765E-03 0.148E-03
DAV: 23 -0.904012437769E+02 -0.23624E-05 -0.67537E-07 504 0.465E-03
1 F= -.90401244E+02 E0= -.90406427E+02 d E =0.155500E-01