./iterations/neb0_image01_iter145_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 0.365404331644E+03 0.36540E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.320427192065E+01 -0.36220E+03 -0.34931E+03 836 0.195E+02
DAV: 3 -0.956623953084E+02 -0.98867E+02 -0.98519E+02 674 0.116E+02
DAV: 4 -0.100186395731E+03 -0.45240E+01 -0.45129E+01 712 0.283E+01
DAV: 5 -0.100276090990E+03 -0.89695E-01 -0.89650E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916700608582E+02 0.86060E+01 -0.31105E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908760354028E+02 0.79403E+00 -0.18281E+00 712 0.640E+00 0.484E+00
DAV: 8 -0.905003344009E+02 0.37570E+00 -0.55314E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904179409476E+02 0.82393E-01 -0.13394E-01 720 0.166E+00 0.422E-01
DAV: 10 -0.904131699198E+02 0.47710E-02 -0.46839E-02 720 0.124E+00 0.320E-01
DAV: 11 -0.904171822316E+02 -0.40123E-02 -0.73958E-03 608 0.541E-01 0.125E-01
DAV: 12 -0.904206808053E+02 -0.34986E-02 -0.67199E-03 624 0.462E-01 0.132E-01
DAV: 13 -0.904230890233E+02 -0.24082E-02 -0.15788E-03 856 0.310E-01 0.744E-02
DAV: 14 -0.904262082686E+02 -0.31192E-02 -0.14535E-03 631 0.191E-01 0.658E-02
DAV: 15 -0.904279396831E+02 -0.17314E-02 -0.33140E-04 680 0.113E-01 0.537E-02
DAV: 16 -0.904292869810E+02 -0.13473E-02 -0.10053E-03 653 0.195E-01 0.365E-02
DAV: 17 -0.904300906368E+02 -0.80366E-03 -0.13917E-04 669 0.808E-02 0.317E-02
DAV: 18 -0.904303993518E+02 -0.30871E-03 -0.87725E-05 661 0.474E-02 0.158E-02
DAV: 19 -0.904305709140E+02 -0.17156E-03 -0.74369E-05 647 0.466E-02 0.888E-03
DAV: 20 -0.904305973326E+02 -0.26419E-04 -0.61167E-06 512 0.177E-02 0.887E-03
DAV: 21 -0.904306370530E+02 -0.39720E-04 -0.73710E-06 404 0.151E-02 0.620E-03
DAV: 22 -0.904306470780E+02 -0.10025E-04 -0.49361E-06 480 0.157E-02 0.244E-03
DAV: 23 -0.904306496744E+02 -0.25964E-05 -0.33795E-06 504 0.109E-02
1 F= -.90430650E+02 E0= -.90435961E+02 d E =0.159338E-01