iterations/neb0_image02_iter52_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 0.368088686450E+03 0.36809E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.462459173382E+01 -0.36346E+03 -0.34866E+03 834 0.195E+02
DAV: 3 -0.956495794578E+02 -0.10027E+03 -0.99939E+02 680 0.116E+02
DAV: 4 -0.100177602468E+03 -0.45280E+01 -0.45178E+01 696 0.283E+01
DAV: 5 -0.100265364293E+03 -0.87762E-01 -0.87720E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916486136416E+02 0.86168E+01 -0.30979E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908244920948E+02 0.82412E+00 -0.18324E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904360620639E+02 0.38843E+00 -0.56118E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.903449866204E+02 0.91075E-01 -0.14066E-01 704 0.167E+00 0.436E-01
DAV: 10 -0.903382964373E+02 0.66902E-02 -0.45740E-02 704 0.126E+00 0.318E-01
DAV: 11 -0.903420115150E+02 -0.37151E-02 -0.71176E-03 605 0.476E-01 0.148E-01
DAV: 12 -0.903453463110E+02 -0.33348E-02 -0.66922E-03 621 0.458E-01 0.126E-01
DAV: 13 -0.903482170516E+02 -0.28707E-02 -0.12729E-03 936 0.310E-01 0.779E-02
DAV: 14 -0.903513386539E+02 -0.31216E-02 -0.13423E-03 629 0.176E-01 0.545E-02
DAV: 15 -0.903537976718E+02 -0.24590E-02 -0.43895E-04 685 0.124E-01 0.397E-02
DAV: 16 -0.903551105970E+02 -0.13129E-02 -0.55025E-04 656 0.128E-01 0.323E-02
DAV: 17 -0.903559947075E+02 -0.88411E-03 -0.18546E-04 850 0.915E-02 0.168E-02
DAV: 18 -0.903561235411E+02 -0.12883E-03 -0.30694E-05 656 0.317E-02 0.102E-02
DAV: 19 -0.903563739365E+02 -0.25040E-03 -0.44613E-05 558 0.331E-02 0.474E-03
DAV: 20 -0.903564049342E+02 -0.30998E-04 -0.30078E-06 480 0.103E-02 0.461E-03
DAV: 21 -0.903564616556E+02 -0.56721E-04 -0.82770E-06 400 0.173E-02 0.245E-03
DAV: 22 -0.903564744526E+02 -0.12797E-04 -0.41996E-06 477 0.963E-03 0.291E-03
DAV: 23 -0.903564769067E+02 -0.24541E-05 -0.77751E-07 488 0.587E-03
1 F= -.90356477E+02 E0= -.90362410E+02 d E =0.177981E-01