iterations/neb0_image03_iter191_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 0.364089845341E+03 0.36409E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.271310201256E-01 -0.36406E+03 -0.35404E+03 858 0.195E+02
DAV: 3 -0.960937323630E+02 -0.96121E+02 -0.95814E+02 666 0.115E+02
DAV: 4 -0.100275210120E+03 -0.41815E+01 -0.41700E+01 712 0.273E+01
DAV: 5 -0.100357398585E+03 -0.82188E-01 -0.82151E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917235666640E+02 0.86338E+01 -0.31009E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908838049946E+02 0.83976E+00 -0.18327E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904871169470E+02 0.39669E+00 -0.56143E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903901448048E+02 0.96972E-01 -0.13107E-01 712 0.181E+00 0.444E-01
DAV: 10 -0.903819901972E+02 0.81546E-02 -0.55899E-02 712 0.133E+00 0.358E-01
DAV: 11 -0.903863104631E+02 -0.43203E-02 -0.14052E-02 624 0.766E-01 0.139E-01
DAV: 12 -0.903883881296E+02 -0.20777E-02 -0.59835E-03 637 0.374E-01 0.136E-01
DAV: 13 -0.903917323390E+02 -0.33442E-02 -0.33493E-03 826 0.446E-01 0.810E-02
DAV: 14 -0.903955911522E+02 -0.38588E-02 -0.15798E-03 669 0.241E-01 0.683E-02
DAV: 15 -0.903974189134E+02 -0.18278E-02 -0.25683E-04 672 0.853E-02 0.439E-02
DAV: 16 -0.903993494128E+02 -0.19305E-02 -0.67843E-04 656 0.151E-01 0.273E-02
DAV: 17 -0.903999572836E+02 -0.60787E-03 -0.70071E-05 680 0.564E-02 0.259E-02
DAV: 18 -0.904006053815E+02 -0.64810E-03 -0.24341E-04 703 0.103E-01 0.144E-02
DAV: 19 -0.904007352213E+02 -0.12984E-03 -0.35062E-05 704 0.420E-02 0.804E-03
DAV: 20 -0.904008510503E+02 -0.11583E-03 -0.24198E-05 506 0.237E-02 0.353E-03
DAV: 21 -0.904008912273E+02 -0.40177E-04 -0.42595E-06 496 0.113E-02 0.229E-03
DAV: 22 -0.904009352840E+02 -0.44057E-04 -0.79619E-06 428 0.165E-02 0.185E-03
DAV: 23 -0.904009425576E+02 -0.72736E-05 -0.21216E-06 504 0.779E-03
1 F= -.90400943E+02 E0= -.90406295E+02 d E =0.160581E-01