iterations/neb0_image05_iter256_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 0.367613524667E+03 0.36761E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.442321105468E+01 -0.36319E+03 -0.34928E+03 842 0.195E+02
DAV: 3 -0.954270806895E+02 -0.99850E+02 -0.99505E+02 664 0.117E+02
DAV: 4 -0.100145804553E+03 -0.47187E+01 -0.47082E+01 704 0.293E+01
DAV: 5 -0.100238141898E+03 -0.92337E-01 -0.92295E-01 728 0.368E+00 0.222E+01
DAV: 6 -0.916112339922E+02 0.86269E+01 -0.31048E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907936836027E+02 0.81755E+00 -0.17734E+00 712 0.623E+00 0.482E+00
DAV: 8 -0.904183124163E+02 0.37537E+00 -0.53634E-01 736 0.426E+00 0.168E+00
DAV: 9 -0.903299834464E+02 0.88329E-01 -0.13071E-01 720 0.168E+00 0.441E-01
DAV: 10 -0.903227639500E+02 0.72195E-02 -0.35689E-02 728 0.112E+00 0.305E-01
DAV: 11 -0.903248672659E+02 -0.21033E-02 -0.48578E-03 608 0.415E-01 0.170E-01
DAV: 12 -0.903284620520E+02 -0.35948E-02 -0.81771E-03 616 0.533E-01 0.145E-01
DAV: 13 -0.903303768835E+02 -0.19148E-02 -0.22219E-03 808 0.329E-01 0.795E-02
DAV: 14 -0.903347513427E+02 -0.43745E-02 -0.14662E-03 627 0.200E-01 0.471E-02
DAV: 15 -0.903371042421E+02 -0.23529E-02 -0.28417E-04 717 0.872E-02 0.427E-02
DAV: 16 -0.903393822040E+02 -0.22780E-02 -0.51909E-04 736 0.149E-01 0.255E-02
DAV: 17 -0.903400206530E+02 -0.63845E-03 -0.10715E-04 720 0.568E-02 0.234E-02
DAV: 18 -0.903405062393E+02 -0.48559E-03 -0.10387E-04 652 0.641E-02 0.942E-03
DAV: 19 -0.903407797847E+02 -0.27355E-03 -0.27109E-05 549 0.268E-02 0.748E-03
DAV: 20 -0.903408853007E+02 -0.10552E-03 -0.14031E-05 452 0.200E-02 0.233E-03
DAV: 21 -0.903409422618E+02 -0.56961E-04 -0.11012E-05 449 0.129E-02 0.354E-03
DAV: 22 -0.903409495412E+02 -0.72795E-05 -0.15029E-06 520 0.787E-03
1 F= -.90340950E+02 E0= -.90349297E+02 d E =0.250438E-01