iterations/neb0_image05_iter188_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 0.368411382591E+03 0.36841E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.317112151313E+01 -0.36524E+03 -0.35243E+03 864 0.195E+02
DAV: 3 -0.953252711269E+02 -0.98496E+02 -0.98165E+02 661 0.116E+02
DAV: 4 -0.999546589042E+02 -0.46294E+01 -0.46182E+01 704 0.288E+01
DAV: 5 -0.100049011246E+03 -0.94352E-01 -0.94304E-01 720 0.365E+00 0.221E+01
DAV: 6 -0.915388235006E+02 0.85102E+01 -0.30838E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907651396750E+02 0.77368E+00 -0.18841E+00 720 0.643E+00 0.482E+00
DAV: 8 -0.903923607204E+02 0.37278E+00 -0.53040E-01 720 0.425E+00 0.170E+00
DAV: 9 -0.903025064398E+02 0.89854E-01 -0.13888E-01 720 0.169E+00 0.433E-01
DAV: 10 -0.902947075061E+02 0.77989E-02 -0.46353E-02 776 0.125E+00 0.320E-01
DAV: 11 -0.902980778885E+02 -0.33704E-02 -0.70010E-03 624 0.521E-01 0.138E-01
DAV: 12 -0.903006913499E+02 -0.26135E-02 -0.60528E-03 613 0.446E-01 0.118E-01
DAV: 13 -0.903035899080E+02 -0.28986E-02 -0.11965E-03 824 0.266E-01 0.794E-02
DAV: 14 -0.903069426466E+02 -0.33527E-02 -0.14697E-03 641 0.170E-01 0.545E-02
DAV: 15 -0.903097039518E+02 -0.27613E-02 -0.48800E-04 680 0.130E-01 0.411E-02
DAV: 16 -0.903111294694E+02 -0.14255E-02 -0.56157E-04 685 0.126E-01 0.331E-02
DAV: 17 -0.903119005404E+02 -0.77107E-03 -0.16444E-04 768 0.885E-02 0.227E-02
DAV: 18 -0.903120453640E+02 -0.14482E-03 -0.74032E-05 720 0.449E-02 0.146E-02
DAV: 19 -0.903122259089E+02 -0.18054E-03 -0.27711E-05 554 0.312E-02 0.487E-03
DAV: 20 -0.903123386959E+02 -0.11279E-03 -0.14651E-05 469 0.190E-02 0.292E-03
DAV: 21 -0.903123692797E+02 -0.30584E-04 -0.61301E-06 480 0.109E-02 0.337E-03
DAV: 22 -0.903123804754E+02 -0.11196E-04 -0.18313E-06 440 0.100E-02 0.130E-03
DAV: 23 -0.903123849681E+02 -0.44927E-05 -0.39628E-06 468 0.114E-02
1 F= -.90312385E+02 E0= -.90320050E+02 d E =0.229945E-01