./iterations/neb0_image02_iter66_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 0.367980264207E+03 0.36798E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.464845491647E+01 -0.36333E+03 -0.34857E+03 834 0.195E+02
DAV: 3 -0.956733337339E+02 -0.10032E+03 -0.99987E+02 688 0.116E+02
DAV: 4 -0.100151277088E+03 -0.44779E+01 -0.44679E+01 696 0.279E+01
DAV: 5 -0.100238195139E+03 -0.86918E-01 -0.86876E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916464662693E+02 0.85917E+01 -0.30927E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908202374411E+02 0.82623E+00 -0.18142E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904322600140E+02 0.38798E+00 -0.56329E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903428255945E+02 0.89434E-01 -0.14022E-01 704 0.166E+00 0.436E-01
DAV: 10 -0.903363547415E+02 0.64709E-02 -0.45100E-02 728 0.126E+00 0.318E-01
DAV: 11 -0.903399372113E+02 -0.35825E-02 -0.69675E-03 608 0.468E-01 0.155E-01
DAV: 12 -0.903432324379E+02 -0.32952E-02 -0.68101E-03 624 0.471E-01 0.125E-01
DAV: 13 -0.903462544126E+02 -0.30220E-02 -0.11490E-03 816 0.302E-01 0.816E-02
DAV: 14 -0.903492709022E+02 -0.30165E-02 -0.16880E-03 637 0.194E-01 0.595E-02
DAV: 15 -0.903518335397E+02 -0.25626E-02 -0.57808E-04 749 0.163E-01 0.390E-02
DAV: 16 -0.903528717959E+02 -0.10383E-02 -0.40274E-04 672 0.104E-01 0.327E-02
DAV: 17 -0.903538224444E+02 -0.95065E-03 -0.15160E-04 660 0.747E-02 0.189E-02
DAV: 18 -0.903540780744E+02 -0.25563E-03 -0.77725E-05 688 0.467E-02 0.115E-02
DAV: 19 -0.903542645469E+02 -0.18647E-03 -0.16468E-05 447 0.234E-02 0.533E-03
DAV: 20 -0.903543492877E+02 -0.84741E-04 -0.18296E-05 485 0.195E-02 0.388E-03
DAV: 21 -0.903543775893E+02 -0.28302E-04 -0.34369E-06 472 0.152E-02 0.295E-03
DAV: 22 -0.903543897501E+02 -0.12161E-04 -0.30299E-06 434 0.787E-03 0.334E-03
DAV: 23 -0.903543913511E+02 -0.16009E-05 -0.13338E-06 520 0.102E-02
1 F= -.90354391E+02 E0= -.90360456E+02 d E =0.181925E-01