./iterations/neb0_image06_iter87_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 0.375681058181E+03 0.37568E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.365565925367E+01 -0.37203E+03 -0.35979E+03 877 0.195E+02
DAV: 3 -0.955621364797E+02 -0.99218E+02 -0.98895E+02 648 0.117E+02
DAV: 4 -0.100185075309E+03 -0.46229E+01 -0.46117E+01 712 0.293E+01
DAV: 5 -0.100279386760E+03 -0.94311E-01 -0.94275E-01 744 0.373E+00 0.226E+01
DAV: 6 -0.916344507818E+02 0.86449E+01 -0.30938E+01 690 0.307E+01 0.118E+01
DAV: 7 -0.908018320920E+02 0.83262E+00 -0.17188E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904199981662E+02 0.38183E+00 -0.52288E-01 712 0.401E+00 0.168E+00
DAV: 9 -0.903276778795E+02 0.92320E-01 -0.13294E-01 720 0.161E+00 0.423E-01
DAV: 10 -0.903178053783E+02 0.98725E-02 -0.44456E-02 728 0.108E+00 0.305E-01
DAV: 11 -0.903224166481E+02 -0.46113E-02 -0.12821E-02 615 0.640E-01 0.166E-01
DAV: 12 -0.903242914449E+02 -0.18748E-02 -0.22818E-03 664 0.251E-01 0.121E-01
DAV: 13 -0.903290611882E+02 -0.47697E-02 -0.35007E-03 654 0.378E-01 0.709E-02
DAV: 14 -0.903305762359E+02 -0.15150E-02 -0.50356E-04 712 0.152E-01 0.512E-02
DAV: 15 -0.903335859217E+02 -0.30097E-02 -0.78143E-04 655 0.155E-01 0.400E-02
DAV: 16 -0.903348795882E+02 -0.12937E-02 -0.20917E-04 701 0.729E-02 0.304E-02
DAV: 17 -0.903356007796E+02 -0.72119E-03 -0.14379E-04 730 0.811E-02 0.132E-02
DAV: 18 -0.903361660647E+02 -0.56529E-03 -0.96916E-05 663 0.533E-02 0.128E-02
DAV: 19 -0.903363349733E+02 -0.16891E-03 -0.11780E-05 469 0.178E-02 0.112E-02
DAV: 20 -0.903364201633E+02 -0.85190E-04 -0.17127E-05 522 0.265E-02 0.462E-03
DAV: 21 -0.903364722468E+02 -0.52083E-04 -0.80179E-06 466 0.142E-02 0.313E-03
DAV: 22 -0.903364895425E+02 -0.17296E-04 -0.32498E-06 442 0.101E-02 0.371E-03
DAV: 23 -0.903364972037E+02 -0.76612E-05 -0.19993E-06 428 0.101E-02
1 F= -.90336497E+02 E0= -.90341585E+02 d E =0.152643E-01