iterations/neb0_image02_iter249_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 0.366308373435E+03 0.36631E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.283869165356E+00 -0.36602E+03 -0.35540E+03 877 0.196E+02
DAV: 3 -0.956271281810E+02 -0.95911E+02 -0.95582E+02 621 0.115E+02
DAV: 4 -0.100249164130E+03 -0.46220E+01 -0.46117E+01 712 0.297E+01
DAV: 5 -0.100341544581E+03 -0.92380E-01 -0.92351E-01 744 0.377E+00 0.222E+01
DAV: 6 -0.916764808150E+02 0.86651E+01 -0.30991E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908547918682E+02 0.82169E+00 -0.18104E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904742495739E+02 0.38054E+00 -0.55440E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903895028585E+02 0.84747E-01 -0.13494E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903849963489E+02 0.45065E-02 -0.48563E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903887364245E+02 -0.37401E-02 -0.76612E-03 624 0.591E-01 0.118E-01
DAV: 12 -0.903918182526E+02 -0.30818E-02 -0.66436E-03 632 0.418E-01 0.135E-01
DAV: 13 -0.903943914048E+02 -0.25732E-02 -0.19474E-03 877 0.337E-01 0.807E-02
DAV: 14 -0.903974540803E+02 -0.30627E-02 -0.12988E-03 612 0.170E-01 0.701E-02
DAV: 15 -0.903992305140E+02 -0.17764E-02 -0.30425E-04 688 0.102E-01 0.528E-02
DAV: 16 -0.904006797008E+02 -0.14492E-02 -0.10105E-03 669 0.187E-01 0.387E-02
DAV: 17 -0.904012718508E+02 -0.59215E-03 -0.12315E-04 680 0.796E-02 0.278E-02
DAV: 18 -0.904015923552E+02 -0.32050E-03 -0.11374E-04 669 0.533E-02 0.802E-03
DAV: 19 -0.904017612705E+02 -0.16892E-03 -0.27707E-05 524 0.264E-02 0.586E-03
DAV: 20 -0.904017969009E+02 -0.35630E-04 -0.38438E-06 504 0.118E-02 0.573E-03
DAV: 21 -0.904018449097E+02 -0.48009E-04 -0.10767E-05 412 0.185E-02 0.333E-03
DAV: 22 -0.904018490779E+02 -0.41682E-05 -0.37962E-06 496 0.113E-02
1 F= -.90401849E+02 E0= -.90408450E+02 d E =0.198039E-01