iterations/neb0_image02_iter42_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 0.368617642946E+03 0.36862E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.430414581470E+01 -0.36431E+03 -0.34948E+03 842 0.195E+02
DAV: 3 -0.954262329098E+02 -0.99730E+02 -0.99391E+02 656 0.116E+02
DAV: 4 -0.100165255842E+03 -0.47390E+01 -0.47279E+01 712 0.294E+01
DAV: 5 -0.100257673419E+03 -0.92418E-01 -0.92378E-01 728 0.370E+00 0.223E+01
DAV: 6 -0.916321685860E+02 0.86255E+01 -0.30700E+01 688 0.298E+01 0.118E+01
DAV: 7 -0.907959541342E+02 0.83621E+00 -0.18301E+00 712 0.635E+00 0.483E+00
DAV: 8 -0.904086024591E+02 0.38735E+00 -0.55788E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903183330385E+02 0.90269E-01 -0.14198E-01 696 0.167E+00 0.435E-01
DAV: 10 -0.903117929903E+02 0.65400E-02 -0.41821E-02 704 0.123E+00 0.310E-01
DAV: 11 -0.903154127720E+02 -0.36198E-02 -0.64446E-03 621 0.451E-01 0.155E-01
DAV: 12 -0.903186391914E+02 -0.32264E-02 -0.62038E-03 613 0.457E-01 0.119E-01
DAV: 13 -0.903217930890E+02 -0.31539E-02 -0.93355E-04 805 0.274E-01 0.769E-02
DAV: 14 -0.903248474116E+02 -0.30543E-02 -0.15203E-03 648 0.182E-01 0.541E-02
DAV: 15 -0.903273870963E+02 -0.25397E-02 -0.49190E-04 746 0.154E-01 0.340E-02
DAV: 16 -0.903285092236E+02 -0.11221E-02 -0.33176E-04 680 0.951E-02 0.290E-02
DAV: 17 -0.903294366265E+02 -0.92740E-03 -0.12051E-04 647 0.618E-02 0.173E-02
DAV: 18 -0.903297147339E+02 -0.27811E-03 -0.73657E-05 680 0.471E-02 0.846E-03
DAV: 19 -0.903299000551E+02 -0.18532E-03 -0.13043E-05 439 0.184E-02 0.553E-03
DAV: 20 -0.903299916541E+02 -0.91599E-04 -0.16469E-05 493 0.171E-02 0.292E-03
DAV: 21 -0.903300168573E+02 -0.25203E-04 -0.25356E-06 480 0.798E-03 0.182E-03
DAV: 22 -0.903300278372E+02 -0.10980E-04 -0.20774E-06 412 0.628E-03 0.128E-03
DAV: 23 -0.903300290259E+02 -0.11887E-05 -0.50060E-07 528 0.478E-03
1 F= -.90330029E+02 E0= -.90336900E+02 d E =0.206120E-01