iterations/neb0_image01_iter168_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 0.365736878777E+03 0.36574E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.320032183566E+01 -0.36254E+03 -0.34965E+03 839 0.196E+02
DAV: 3 -0.955889295399E+02 -0.98789E+02 -0.98440E+02 669 0.116E+02
DAV: 4 -0.100222581988E+03 -0.46337E+01 -0.46226E+01 680 0.287E+01
DAV: 5 -0.100315977446E+03 -0.93395E-01 -0.93344E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916854735572E+02 0.86305E+01 -0.31025E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908814197295E+02 0.80405E+00 -0.18291E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905058497668E+02 0.37557E+00 -0.55465E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904238808504E+02 0.81969E-01 -0.13292E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904192268254E+02 0.46540E-02 -0.46898E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904232573963E+02 -0.40306E-02 -0.76859E-03 608 0.557E-01 0.122E-01
DAV: 12 -0.904266579955E+02 -0.34006E-02 -0.65451E-03 637 0.453E-01 0.131E-01
DAV: 13 -0.904290757769E+02 -0.24178E-02 -0.16458E-03 861 0.310E-01 0.747E-02
DAV: 14 -0.904322383494E+02 -0.31626E-02 -0.14414E-03 631 0.190E-01 0.672E-02
DAV: 15 -0.904338660003E+02 -0.16277E-02 -0.30763E-04 680 0.113E-01 0.537E-02
DAV: 16 -0.904352582668E+02 -0.13923E-02 -0.10894E-03 661 0.203E-01 0.394E-02
DAV: 17 -0.904360522679E+02 -0.79400E-03 -0.14364E-04 661 0.821E-02 0.337E-02
DAV: 18 -0.904363590726E+02 -0.30680E-03 -0.83074E-05 672 0.459E-02 0.184E-02
DAV: 19 -0.904365437274E+02 -0.18465E-03 -0.89815E-05 636 0.530E-02 0.868E-03
DAV: 20 -0.904365749749E+02 -0.31248E-04 -0.91190E-06 512 0.206E-02 0.967E-03
DAV: 21 -0.904366127823E+02 -0.37807E-04 -0.72715E-06 407 0.152E-02 0.735E-03
DAV: 22 -0.904366255077E+02 -0.12725E-04 -0.51489E-06 480 0.184E-02 0.309E-03
DAV: 23 -0.904366285798E+02 -0.30721E-05 -0.70084E-06 496 0.150E-02
1 F= -.90436629E+02 E0= -.90441806E+02 d E =0.155319E-01