iterations/neb0_image03_iter17_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 0.362735561472E+03 0.36274E+03 -0.14296E+04 632 0.799E+02
DAV: 2 0.436783818251E+01 -0.35837E+03 -0.34553E+03 845 0.194E+02
DAV: 3 -0.946962201210E+02 -0.99064E+02 -0.98699E+02 688 0.115E+02
DAV: 4 -0.992185248421E+02 -0.45223E+01 -0.45098E+01 704 0.277E+01
DAV: 5 -0.993067830861E+02 -0.88258E-01 -0.88210E-01 728 0.348E+00 0.217E+01
DAV: 6 -0.906605503162E+02 0.86462E+01 -0.31488E+01 709 0.303E+01 0.113E+01
DAV: 7 -0.898854464044E+02 0.77510E+00 -0.17494E+00 712 0.637E+00 0.479E+00
DAV: 8 -0.894982377035E+02 0.38721E+00 -0.56893E-01 728 0.435E+00 0.173E+00
DAV: 9 -0.894008775558E+02 0.97360E-01 -0.14160E-01 728 0.177E+00 0.439E-01
DAV: 10 -0.893921543379E+02 0.87232E-02 -0.39965E-02 720 0.102E+00 0.317E-01
DAV: 11 -0.893970085738E+02 -0.48542E-02 -0.13210E-02 608 0.667E-01 0.167E-01
DAV: 12 -0.893979286665E+02 -0.92009E-03 -0.29689E-03 672 0.300E-01 0.132E-01
DAV: 13 -0.894027559065E+02 -0.48272E-02 -0.66602E-03 711 0.549E-01 0.121E-01
DAV: 14 -0.894044113101E+02 -0.16554E-02 -0.12225E-03 768 0.220E-01 0.782E-02
DAV: 15 -0.894065470242E+02 -0.21357E-02 -0.11590E-03 660 0.188E-01 0.276E-02
DAV: 16 -0.894081647281E+02 -0.16177E-02 -0.26583E-04 709 0.813E-02 0.326E-02
DAV: 17 -0.894090483101E+02 -0.88358E-03 -0.84098E-05 738 0.564E-02 0.174E-02
DAV: 18 -0.894096113675E+02 -0.56306E-03 -0.19890E-04 650 0.782E-02 0.192E-02
DAV: 19 -0.894097103431E+02 -0.98976E-04 -0.22827E-05 632 0.336E-02 0.108E-02
DAV: 20 -0.894097835736E+02 -0.73230E-04 -0.38426E-05 631 0.339E-02 0.587E-03
DAV: 21 -0.894098481355E+02 -0.64562E-04 -0.57857E-06 447 0.139E-02 0.401E-03
DAV: 22 -0.894098646032E+02 -0.16468E-04 -0.45349E-06 501 0.109E-02 0.183E-03
DAV: 23 -0.894098738097E+02 -0.92065E-05 -0.15617E-06 395 0.624E-03
1 F= -.89409874E+02 E0= -.89415883E+02 d E =0.180272E-01