iterations/neb0_image03_iter100_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 0.366939463810E+03 0.36694E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.306610917616E+01 -0.36387E+03 -0.35054E+03 845 0.195E+02
DAV: 3 -0.955930772802E+02 -0.98659E+02 -0.98340E+02 664 0.116E+02
DAV: 4 -0.100147181834E+03 -0.45541E+01 -0.45443E+01 712 0.287E+01
DAV: 5 -0.100236223217E+03 -0.89041E-01 -0.89005E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916628202031E+02 0.85734E+01 -0.30616E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908159050631E+02 0.84692E+00 -0.18157E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.904130793901E+02 0.40283E+00 -0.56996E-01 688 0.435E+00 0.166E+00
DAV: 9 -0.903188501585E+02 0.94229E-01 -0.13174E-01 696 0.184E+00 0.458E-01
DAV: 10 -0.903104086789E+02 0.84415E-02 -0.36836E-02 728 0.972E-01 0.332E-01
DAV: 11 -0.903130161532E+02 -0.26075E-02 -0.73681E-03 736 0.599E-01 0.152E-01
DAV: 12 -0.903148252206E+02 -0.18091E-02 -0.29021E-03 634 0.356E-01 0.109E-01
DAV: 13 -0.903193949814E+02 -0.45698E-02 -0.27985E-03 629 0.270E-01 0.839E-02
DAV: 14 -0.903236823948E+02 -0.42874E-02 -0.11507E-03 653 0.174E-01 0.407E-02
DAV: 15 -0.903255700174E+02 -0.18876E-02 -0.23976E-04 696 0.866E-02 0.240E-02
DAV: 16 -0.903274551107E+02 -0.18851E-02 -0.18014E-04 661 0.600E-02 0.133E-02
DAV: 17 -0.903284233591E+02 -0.96825E-03 -0.83464E-05 608 0.400E-02 0.725E-03
DAV: 18 -0.903287104749E+02 -0.28712E-03 -0.34835E-05 600 0.252E-02 0.528E-03
DAV: 19 -0.903287697793E+02 -0.59304E-04 -0.38043E-06 528 0.188E-02 0.298E-03
DAV: 20 -0.903288606046E+02 -0.90825E-04 -0.15703E-05 451 0.174E-02 0.435E-03
DAV: 21 -0.903288725643E+02 -0.11960E-04 -0.23823E-06 496 0.134E-02 0.221E-03
DAV: 22 -0.903288798211E+02 -0.72568E-05 -0.43230E-06 440 0.127E-02
1 F= -.90328880E+02 E0= -.90337497E+02 d E =0.258524E-01