./iterations/neb0_image07_iter211_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 0.370537429552E+03 0.37054E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.364371472234E+01 -0.36689E+03 -0.35492E+03 866 0.194E+02
DAV: 3 -0.966377095305E+02 -0.10028E+03 -0.99982E+02 704 0.116E+02
DAV: 4 -0.101050836442E+03 -0.44131E+01 -0.44011E+01 704 0.273E+01
DAV: 5 -0.101138790862E+03 -0.87954E-01 -0.87904E-01 736 0.345E+00 0.226E+01
DAV: 6 -0.925510022967E+02 0.85878E+01 -0.30763E+01 728 0.299E+01 0.118E+01
DAV: 7 -0.917059002196E+02 0.84510E+00 -0.17198E+00 720 0.621E+00 0.479E+00
DAV: 8 -0.913333238205E+02 0.37258E+00 -0.54415E-01 728 0.397E+00 0.162E+00
DAV: 9 -0.912522519333E+02 0.81072E-01 -0.12922E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.912435085455E+02 0.87434E-02 -0.39421E-02 760 0.100E+00 0.283E-01
DAV: 11 -0.912479310372E+02 -0.44225E-02 -0.11013E-02 616 0.545E-01 0.143E-01
DAV: 12 -0.912510270793E+02 -0.30960E-02 -0.24372E-03 624 0.239E-01 0.917E-02
DAV: 13 -0.912547722137E+02 -0.37451E-02 -0.14128E-03 639 0.183E-01 0.474E-02
DAV: 14 -0.912581755654E+02 -0.34034E-02 -0.80237E-04 714 0.199E-01 0.392E-02
DAV: 15 -0.912594342469E+02 -0.12587E-02 -0.23863E-04 688 0.927E-02 0.312E-02
DAV: 16 -0.912603893054E+02 -0.95506E-03 -0.23923E-04 720 0.959E-02 0.156E-02
DAV: 17 -0.912611108088E+02 -0.72150E-03 -0.83019E-05 672 0.459E-02 0.141E-02
DAV: 18 -0.912613132085E+02 -0.20240E-03 -0.16653E-05 520 0.204E-02 0.951E-03
DAV: 19 -0.912614827924E+02 -0.16958E-03 -0.42958E-05 604 0.343E-02 0.536E-03
DAV: 20 -0.912614930110E+02 -0.10219E-04 -0.27724E-06 528 0.115E-02 0.412E-03
DAV: 21 -0.912615138937E+02 -0.20883E-04 -0.56018E-06 420 0.150E-02 0.150E-03
DAV: 22 -0.912615247314E+02 -0.10838E-04 -0.16352E-06 442 0.638E-03 0.153E-03
DAV: 23 -0.912615265483E+02 -0.18169E-05 -0.33040E-07 490 0.263E-03
1 F= -.91261527E+02 E0= -.91267277E+02 d E =0.172509E-01