iterations/neb0_image02_iter90_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 0.367909039444E+03 0.36791E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.468079800427E+01 -0.36323E+03 -0.34850E+03 834 0.195E+02
DAV: 3 -0.954850374054E+02 -0.10017E+03 -0.99832E+02 672 0.116E+02
DAV: 4 -0.100165576224E+03 -0.46805E+01 -0.46697E+01 712 0.287E+01
DAV: 5 -0.100258024085E+03 -0.92448E-01 -0.92406E-01 720 0.360E+00 0.222E+01
DAV: 6 -0.916613664131E+02 0.85967E+01 -0.30872E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908376219459E+02 0.82374E+00 -0.18231E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904507503606E+02 0.38687E+00 -0.56040E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903610917067E+02 0.89659E-01 -0.13911E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903546645658E+02 0.64271E-02 -0.47107E-02 712 0.128E+00 0.323E-01
DAV: 11 -0.903582959455E+02 -0.36314E-02 -0.71911E-03 616 0.485E-01 0.149E-01
DAV: 12 -0.903616242137E+02 -0.33283E-02 -0.70705E-03 610 0.469E-01 0.128E-01
DAV: 13 -0.903645053500E+02 -0.28811E-02 -0.13876E-03 968 0.318E-01 0.806E-02
DAV: 14 -0.903675461168E+02 -0.30408E-02 -0.13460E-03 637 0.173E-01 0.550E-02
DAV: 15 -0.903699559502E+02 -0.24098E-02 -0.41959E-04 677 0.116E-01 0.417E-02
DAV: 16 -0.903712842060E+02 -0.13283E-02 -0.55580E-04 656 0.131E-01 0.304E-02
DAV: 17 -0.903721687064E+02 -0.88450E-03 -0.16212E-04 821 0.840E-02 0.182E-02
DAV: 18 -0.903723167982E+02 -0.14809E-03 -0.33319E-05 648 0.310E-02 0.105E-02
DAV: 19 -0.903725417246E+02 -0.22493E-03 -0.42477E-05 585 0.317E-02 0.440E-03
DAV: 20 -0.903725706847E+02 -0.28960E-04 -0.27229E-06 488 0.982E-03 0.460E-03
DAV: 21 -0.903726186170E+02 -0.47932E-04 -0.68871E-06 409 0.158E-02 0.338E-03
DAV: 22 -0.903726328529E+02 -0.14236E-04 -0.35121E-06 477 0.987E-03 0.260E-03
DAV: 23 -0.903726356142E+02 -0.27613E-05 -0.17437E-06 496 0.804E-03
1 F= -.90372636E+02 E0= -.90378383E+02 d E =0.172418E-01