iterations/neb0_image04_iter264_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 0.366865265958E+03 0.36687E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.621372547426E+00 -0.36624E+03 -0.35509E+03 858 0.195E+02
DAV: 3 -0.960312702395E+02 -0.96653E+02 -0.96356E+02 656 0.116E+02
DAV: 4 -0.100362655703E+03 -0.43314E+01 -0.43221E+01 696 0.280E+01
DAV: 5 -0.100448077629E+03 -0.85422E-01 -0.85394E-01 736 0.351E+00 0.224E+01
DAV: 6 -0.916986998402E+02 0.87494E+01 -0.31266E+01 698 0.299E+01 0.118E+01
DAV: 7 -0.908356871551E+02 0.86301E+00 -0.18383E+00 720 0.665E+00 0.486E+00
DAV: 8 -0.904253448052E+02 0.41034E+00 -0.54505E-01 704 0.465E+00 0.182E+00
DAV: 9 -0.903348200961E+02 0.90525E-01 -0.15704E-01 736 0.224E+00 0.607E-01
DAV: 10 -0.903182211195E+02 0.16599E-01 -0.40815E-02 712 0.107E+00 0.362E-01
DAV: 11 -0.903198750811E+02 -0.16540E-02 -0.15840E-02 728 0.646E-01 0.253E-01
DAV: 12 -0.903225082615E+02 -0.26332E-02 -0.31103E-03 672 0.469E-01 0.137E-01
DAV: 13 -0.903259709421E+02 -0.34627E-02 -0.32429E-03 636 0.381E-01 0.123E-01
DAV: 14 -0.903286690739E+02 -0.26981E-02 -0.16705E-03 760 0.289E-01 0.554E-02
DAV: 15 -0.903317965432E+02 -0.31275E-02 -0.94074E-04 634 0.150E-01 0.484E-02
DAV: 16 -0.903338167215E+02 -0.20202E-02 -0.36208E-04 784 0.144E-01 0.269E-02
DAV: 17 -0.903352566079E+02 -0.14399E-02 -0.33319E-04 668 0.902E-02 0.332E-02
DAV: 18 -0.903357386793E+02 -0.48207E-03 -0.68438E-05 744 0.677E-02 0.160E-02
DAV: 19 -0.903360924427E+02 -0.35376E-03 -0.17922E-04 638 0.773E-02 0.177E-02
DAV: 20 -0.903361740439E+02 -0.81601E-04 -0.12242E-05 504 0.306E-02 0.124E-02
DAV: 21 -0.903362372463E+02 -0.63202E-04 -0.43246E-05 623 0.372E-02 0.403E-03
DAV: 22 -0.903362656455E+02 -0.28399E-04 -0.34646E-06 461 0.131E-02 0.273E-03
DAV: 23 -0.903362702341E+02 -0.45886E-05 -0.13120E-06 533 0.592E-03
1 F= -.90336270E+02 E0= -.90344490E+02 d E =0.246598E-01