iterations/neb0_image01_iter30_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 0.365979245151E+03 0.36598E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.302360105028E+01 -0.36296E+03 -0.34965E+03 847 0.195E+02
DAV: 3 -0.956573437912E+02 -0.98681E+02 -0.98335E+02 680 0.116E+02
DAV: 4 -0.100152722432E+03 -0.44954E+01 -0.44852E+01 688 0.281E+01
DAV: 5 -0.100242699303E+03 -0.89977E-01 -0.89925E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916349701883E+02 0.86077E+01 -0.31099E+01 701 0.298E+01 0.116E+01
DAV: 7 -0.908229924843E+02 0.81198E+00 -0.18177E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.904413247740E+02 0.38167E+00 -0.56592E-01 704 0.432E+00 0.168E+00
DAV: 9 -0.903558124094E+02 0.85512E-01 -0.13767E-01 712 0.165E+00 0.433E-01
DAV: 10 -0.903499680410E+02 0.58444E-02 -0.44169E-02 720 0.125E+00 0.314E-01
DAV: 11 -0.903536696886E+02 -0.37016E-02 -0.64174E-03 605 0.461E-01 0.153E-01
DAV: 12 -0.903571258702E+02 -0.34562E-02 -0.70381E-03 618 0.498E-01 0.126E-01
DAV: 13 -0.903599310804E+02 -0.28052E-02 -0.12635E-03 792 0.299E-01 0.765E-02
DAV: 14 -0.903628749694E+02 -0.29439E-02 -0.16080E-03 637 0.190E-01 0.588E-02
DAV: 15 -0.903650498637E+02 -0.21749E-02 -0.37831E-04 752 0.129E-01 0.399E-02
DAV: 16 -0.903663048001E+02 -0.12549E-02 -0.56711E-04 664 0.134E-01 0.337E-02
DAV: 17 -0.903671778991E+02 -0.87310E-03 -0.15155E-04 759 0.841E-02 0.198E-02
DAV: 18 -0.903673893743E+02 -0.21148E-03 -0.45220E-05 688 0.336E-02 0.122E-02
DAV: 19 -0.903676278626E+02 -0.23849E-03 -0.53431E-05 633 0.371E-02 0.586E-03
DAV: 20 -0.903676622954E+02 -0.34433E-04 -0.34907E-06 488 0.119E-02 0.519E-03
DAV: 21 -0.903677102389E+02 -0.47944E-04 -0.82021E-06 397 0.155E-02 0.187E-03
DAV: 22 -0.903677208133E+02 -0.10574E-04 -0.29912E-06 480 0.873E-03 0.183E-03
DAV: 23 -0.903677234405E+02 -0.26272E-05 -0.84992E-07 472 0.469E-03
1 F= -.90367723E+02 E0= -.90373388E+02 d E =0.169936E-01