iterations/neb0_image04_iter141_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 0.368792196518E+03 0.36879E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.424973970128E+01 -0.36454E+03 -0.35139E+03 850 0.195E+02
DAV: 3 -0.955131552977E+02 -0.99763E+02 -0.99440E+02 674 0.116E+02
DAV: 4 -0.100031455556E+03 -0.45183E+01 -0.45064E+01 704 0.281E+01
DAV: 5 -0.100120519229E+03 -0.89064E-01 -0.89018E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.915128417045E+02 0.86077E+01 -0.30457E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.906554254019E+02 0.85742E+00 -0.17912E+00 696 0.631E+00 0.482E+00
DAV: 8 -0.902522160265E+02 0.40321E+00 -0.56798E-01 704 0.430E+00 0.163E+00
DAV: 9 -0.901583799792E+02 0.93836E-01 -0.13267E-01 712 0.175E+00 0.440E-01
DAV: 10 -0.901494529633E+02 0.89270E-02 -0.45636E-02 712 0.113E+00 0.337E-01
DAV: 11 -0.901543126227E+02 -0.48597E-02 -0.11546E-02 640 0.744E-01 0.151E-01
DAV: 12 -0.901557491490E+02 -0.14365E-02 -0.39631E-03 653 0.347E-01 0.117E-01
DAV: 13 -0.901600765076E+02 -0.43274E-02 -0.27915E-03 618 0.330E-01 0.820E-02
DAV: 14 -0.901633005667E+02 -0.32241E-02 -0.67597E-04 672 0.141E-01 0.487E-02
DAV: 15 -0.901658784873E+02 -0.25779E-02 -0.65059E-04 703 0.144E-01 0.260E-02
DAV: 16 -0.901674105387E+02 -0.15321E-02 -0.16525E-04 672 0.735E-02 0.161E-02
DAV: 17 -0.901683804741E+02 -0.96994E-03 -0.14531E-04 663 0.609E-02 0.141E-02
DAV: 18 -0.901688035625E+02 -0.42309E-03 -0.56297E-05 618 0.449E-02 0.834E-03
DAV: 19 -0.901688797715E+02 -0.76209E-04 -0.13869E-05 512 0.248E-02 0.474E-03
DAV: 20 -0.901689917837E+02 -0.11201E-03 -0.22194E-05 461 0.250E-02 0.530E-03
DAV: 21 -0.901690313256E+02 -0.39542E-04 -0.40660E-06 469 0.133E-02 0.310E-03
DAV: 22 -0.901690465094E+02 -0.15184E-04 -0.50006E-06 456 0.121E-02 0.140E-03
DAV: 23 -0.901690543017E+02 -0.77923E-05 -0.13871E-06 436 0.582E-03
1 F= -.90169054E+02 E0= -.90178256E+02 d E =0.276058E-01