./iterations/neb0_image01_iter74_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 0.366400045066E+03 0.36640E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.341019817513E+01 -0.36299E+03 -0.34959E+03 839 0.195E+02
DAV: 3 -0.957524039147E+02 -0.99163E+02 -0.98822E+02 688 0.116E+02
DAV: 4 -0.100172514849E+03 -0.44201E+01 -0.44109E+01 693 0.278E+01
DAV: 5 -0.100260074721E+03 -0.87560E-01 -0.87509E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916736762878E+02 0.85864E+01 -0.31100E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908608892763E+02 0.81279E+00 -0.18088E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904796344521E+02 0.38125E+00 -0.56124E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.903952615627E+02 0.84373E-01 -0.13673E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903896342269E+02 0.56273E-02 -0.44503E-02 720 0.126E+00 0.313E-01
DAV: 11 -0.903933643555E+02 -0.37301E-02 -0.65015E-03 616 0.457E-01 0.153E-01
DAV: 12 -0.903968332669E+02 -0.34689E-02 -0.69155E-03 616 0.495E-01 0.123E-01
DAV: 13 -0.903997467352E+02 -0.29135E-02 -0.11705E-03 776 0.287E-01 0.792E-02
DAV: 14 -0.904026096042E+02 -0.28629E-02 -0.16472E-03 639 0.196E-01 0.582E-02
DAV: 15 -0.904048468633E+02 -0.22373E-02 -0.43253E-04 752 0.141E-01 0.395E-02
DAV: 16 -0.904060008227E+02 -0.11540E-02 -0.50579E-04 661 0.125E-01 0.335E-02
DAV: 17 -0.904069091575E+02 -0.90833E-03 -0.17660E-04 775 0.894E-02 0.187E-02
DAV: 18 -0.904071129810E+02 -0.20382E-03 -0.50347E-05 688 0.351E-02 0.134E-02
DAV: 19 -0.904073370545E+02 -0.22407E-03 -0.50119E-05 636 0.363E-02 0.636E-03
DAV: 20 -0.904073805336E+02 -0.43479E-04 -0.37322E-06 480 0.142E-02 0.474E-03
DAV: 21 -0.904074243203E+02 -0.43787E-04 -0.11197E-05 411 0.185E-02 0.239E-03
DAV: 22 -0.904074353673E+02 -0.11047E-04 -0.21644E-06 477 0.811E-03 0.179E-03
DAV: 23 -0.904074385977E+02 -0.32304E-05 -0.83408E-07 464 0.520E-03
1 F= -.90407439E+02 E0= -.90412560E+02 d E =0.153635E-01