iterations/neb0_image09_iter290_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 0.374270784160E+03 0.37427E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.332968646947E+01 -0.37094E+03 -0.35826E+03 866 0.196E+02
DAV: 3 -0.966677769003E+02 -0.99997E+02 -0.99672E+02 656 0.117E+02
DAV: 4 -0.101277810324E+03 -0.46100E+01 -0.45991E+01 712 0.291E+01
DAV: 5 -0.101369272866E+03 -0.91463E-01 -0.91422E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926775493905E+02 0.86917E+01 -0.30983E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918097090720E+02 0.86784E+00 -0.17271E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914347988332E+02 0.37491E+00 -0.54269E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913534187164E+02 0.81380E-01 -0.13154E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913451942252E+02 0.82245E-02 -0.44680E-02 768 0.107E+00 0.303E-01
DAV: 11 -0.913499212881E+02 -0.47271E-02 -0.13331E-02 608 0.599E-01 0.145E-01
DAV: 12 -0.913528590879E+02 -0.29378E-02 -0.27895E-03 629 0.224E-01 0.113E-01
DAV: 13 -0.913567060347E+02 -0.38469E-02 -0.23928E-03 677 0.257E-01 0.506E-02
DAV: 14 -0.913599738206E+02 -0.32678E-02 -0.58356E-04 664 0.128E-01 0.242E-02
DAV: 15 -0.913614319791E+02 -0.14582E-02 -0.11491E-04 696 0.539E-02 0.194E-02
DAV: 16 -0.913626077716E+02 -0.11758E-02 -0.19310E-04 645 0.651E-02 0.149E-02
DAV: 17 -0.913628137501E+02 -0.20598E-03 -0.15293E-05 496 0.290E-02 0.110E-02
DAV: 18 -0.913630591618E+02 -0.24541E-03 -0.72311E-05 612 0.436E-02 0.990E-03
DAV: 19 -0.913630822802E+02 -0.23118E-04 -0.76605E-06 520 0.256E-02 0.451E-03
DAV: 20 -0.913631108208E+02 -0.28541E-04 -0.11310E-05 418 0.184E-02 0.248E-03
DAV: 21 -0.913631305300E+02 -0.19709E-04 -0.40798E-06 448 0.956E-03 0.348E-03
DAV: 22 -0.913631337823E+02 -0.32524E-05 -0.75081E-07 493 0.722E-03
1 F= -.91363134E+02 E0= -.91367808E+02 d E =0.140220E-01