iterations/neb0_image03_iter47_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 0.368259499651E+03 0.36826E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.407344277789E+01 -0.36419E+03 -0.35097E+03 845 0.195E+02
DAV: 3 -0.952316496110E+02 -0.99305E+02 -0.98968E+02 648 0.116E+02
DAV: 4 -0.100038638596E+03 -0.48070E+01 -0.47967E+01 712 0.297E+01
DAV: 5 -0.100132740755E+03 -0.94102E-01 -0.94063E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.915333745052E+02 0.85994E+01 -0.30554E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.906837869152E+02 0.84959E+00 -0.18397E+00 696 0.638E+00 0.482E+00
DAV: 8 -0.902802863577E+02 0.40350E+00 -0.56412E-01 696 0.428E+00 0.165E+00
DAV: 9 -0.901847909604E+02 0.95495E-01 -0.13810E-01 696 0.168E+00 0.434E-01
DAV: 10 -0.901763721865E+02 0.84188E-02 -0.50020E-02 712 0.126E+00 0.337E-01
DAV: 11 -0.901799095393E+02 -0.35374E-02 -0.85380E-03 616 0.548E-01 0.128E-01
DAV: 12 -0.901829229747E+02 -0.30134E-02 -0.60967E-03 620 0.371E-01 0.133E-01
DAV: 13 -0.901859404669E+02 -0.30175E-02 -0.14534E-03 856 0.339E-01 0.785E-02
DAV: 14 -0.901894622894E+02 -0.35218E-02 -0.11925E-03 634 0.179E-01 0.539E-02
DAV: 15 -0.901919987749E+02 -0.25365E-02 -0.32619E-04 688 0.928E-02 0.369E-02
DAV: 16 -0.901934286790E+02 -0.14299E-02 -0.33145E-04 648 0.994E-02 0.202E-02
DAV: 17 -0.901945085317E+02 -0.10799E-02 -0.95860E-05 610 0.586E-02 0.158E-02
DAV: 18 -0.901949102738E+02 -0.40174E-03 -0.10178E-04 653 0.551E-02 0.909E-03
DAV: 19 -0.901949896990E+02 -0.79425E-04 -0.67493E-06 512 0.183E-02 0.608E-03
DAV: 20 -0.901950578755E+02 -0.68176E-04 -0.22323E-05 487 0.270E-02 0.597E-03
DAV: 21 -0.901950815220E+02 -0.23647E-04 -0.37291E-06 480 0.149E-02 0.561E-03
DAV: 22 -0.901950950070E+02 -0.13485E-04 -0.41033E-06 416 0.136E-02 0.381E-03
DAV: 23 -0.901950978961E+02 -0.28891E-05 -0.19618E-06 504 0.928E-03
1 F= -.90195098E+02 E0= -.90203721E+02 d E =0.258708E-01