iterations/neb0_image02_iter226_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 0.366172160357E+03 0.36617E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.325432780933E+00 -0.36585E+03 -0.35542E+03 877 0.195E+02
DAV: 3 -0.956735496124E+02 -0.95999E+02 -0.95669E+02 629 0.115E+02
DAV: 4 -0.100225887669E+03 -0.45523E+01 -0.45416E+01 712 0.294E+01
DAV: 5 -0.100316202599E+03 -0.90315E-01 -0.90282E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916697764017E+02 0.86464E+01 -0.30923E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908525823246E+02 0.81719E+00 -0.18231E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904718577833E+02 0.38072E+00 -0.55575E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903865288385E+02 0.85329E-01 -0.13532E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903816974300E+02 0.48314E-02 -0.48630E-02 704 0.124E+00 0.330E-01
DAV: 11 -0.903854250123E+02 -0.37276E-02 -0.78428E-03 632 0.611E-01 0.116E-01
DAV: 12 -0.903882908232E+02 -0.28658E-02 -0.61849E-03 640 0.389E-01 0.130E-01
DAV: 13 -0.903910872322E+02 -0.27964E-02 -0.18037E-03 845 0.326E-01 0.829E-02
DAV: 14 -0.903941820115E+02 -0.30948E-02 -0.12440E-03 634 0.162E-01 0.676E-02
DAV: 15 -0.903960776084E+02 -0.18956E-02 -0.33621E-04 696 0.108E-01 0.473E-02
DAV: 16 -0.903974938574E+02 -0.14162E-02 -0.86996E-04 672 0.169E-01 0.381E-02
DAV: 17 -0.903981092782E+02 -0.61542E-03 -0.14634E-04 808 0.836E-02 0.217E-02
DAV: 18 -0.903983574048E+02 -0.24813E-03 -0.66175E-05 680 0.405E-02 0.657E-03
DAV: 19 -0.903985632124E+02 -0.20581E-03 -0.27388E-05 561 0.233E-02 0.486E-03
DAV: 20 -0.903986033477E+02 -0.40135E-04 -0.26754E-06 504 0.103E-02 0.411E-03
DAV: 21 -0.903986584305E+02 -0.55083E-04 -0.11266E-05 417 0.167E-02 0.281E-03
DAV: 22 -0.903986624177E+02 -0.39872E-05 -0.24622E-06 504 0.900E-03
1 F= -.90398662E+02 E0= -.90405775E+02 d E =0.213381E-01