iterations/neb0_image05_iter127_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 0.372028041638E+03 0.37203E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.482947305709E+01 -0.36720E+03 -0.35467E+03 863 0.194E+02
DAV: 3 -0.941780385703E+02 -0.99008E+02 -0.98622E+02 637 0.116E+02
DAV: 4 -0.989587775410E+02 -0.47807E+01 -0.47675E+01 728 0.303E+01
DAV: 5 -0.990589139376E+02 -0.10014E+00 -0.10009E+00 728 0.391E+00 0.220E+01
DAV: 6 -0.906333632008E+02 0.84256E+01 -0.29174E+01 669 0.291E+01 0.113E+01
DAV: 7 -0.897601927924E+02 0.87317E+00 -0.17779E+00 728 0.662E+00 0.471E+00
DAV: 8 -0.893679883952E+02 0.39220E+00 -0.59620E-01 720 0.441E+00 0.160E+00
DAV: 9 -0.892813801877E+02 0.86608E-01 -0.13532E-01 720 0.164E+00 0.445E-01
DAV: 10 -0.892698983277E+02 0.11482E-01 -0.38993E-02 773 0.114E+00 0.312E-01
DAV: 11 -0.892715286269E+02 -0.16303E-02 -0.73321E-03 648 0.481E-01 0.133E-01
DAV: 12 -0.892740499606E+02 -0.25213E-02 -0.34416E-03 674 0.333E-01 0.110E-01
DAV: 13 -0.892786638863E+02 -0.46139E-02 -0.88519E-04 648 0.242E-01 0.768E-02
DAV: 14 -0.892817406548E+02 -0.30768E-02 -0.11515E-03 653 0.155E-01 0.379E-02
DAV: 15 -0.892837580369E+02 -0.20174E-02 -0.21842E-04 685 0.781E-02 0.275E-02
DAV: 16 -0.892858171301E+02 -0.20591E-02 -0.23962E-04 634 0.741E-02 0.178E-02
DAV: 17 -0.892868991516E+02 -0.10820E-02 -0.83370E-05 610 0.441E-02 0.964E-03
DAV: 18 -0.892873551953E+02 -0.45604E-03 -0.67745E-05 658 0.379E-02 0.740E-03
DAV: 19 -0.892874663461E+02 -0.11115E-03 -0.55133E-06 488 0.168E-02 0.476E-03
DAV: 20 -0.892875490828E+02 -0.82737E-04 -0.23919E-05 472 0.277E-02 0.572E-03
DAV: 21 -0.892875591133E+02 -0.10030E-04 -0.23241E-06 496 0.140E-02 0.346E-03
DAV: 22 -0.892875706523E+02 -0.11539E-04 -0.56168E-06 423 0.137E-02 0.167E-03
DAV: 23 -0.892875762527E+02 -0.56004E-05 -0.10456E-06 461 0.655E-03
1 F= -.89287576E+02 E0= -.89296102E+02 d E =0.255759E-01