iterations/neb0_image02_iter62_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 0.368290210635E+03 0.36829E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.466636335768E+01 -0.36362E+03 -0.34885E+03 834 0.195E+02
DAV: 3 -0.956614652046E+02 -0.10033E+03 -0.99994E+02 680 0.117E+02
DAV: 4 -0.100186767525E+03 -0.45253E+01 -0.45151E+01 696 0.283E+01
DAV: 5 -0.100274248543E+03 -0.87481E-01 -0.87438E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916448982036E+02 0.86294E+01 -0.31053E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908232523578E+02 0.82165E+00 -0.18332E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904358141223E+02 0.38744E+00 -0.55530E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903446855702E+02 0.91129E-01 -0.14068E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903381408964E+02 0.65447E-02 -0.46652E-02 701 0.126E+00 0.320E-01
DAV: 11 -0.903418962696E+02 -0.37554E-02 -0.73337E-03 608 0.484E-01 0.145E-01
DAV: 12 -0.903452896158E+02 -0.33933E-02 -0.67651E-03 624 0.457E-01 0.128E-01
DAV: 13 -0.903480405432E+02 -0.27509E-02 -0.13225E-03 936 0.312E-01 0.786E-02
DAV: 14 -0.903511452403E+02 -0.31047E-02 -0.13678E-03 637 0.177E-01 0.548E-02
DAV: 15 -0.903535438220E+02 -0.23986E-02 -0.42551E-04 669 0.120E-01 0.414E-02
DAV: 16 -0.903548877906E+02 -0.13440E-02 -0.59031E-04 656 0.133E-01 0.322E-02
DAV: 17 -0.903557640580E+02 -0.87627E-03 -0.17762E-04 834 0.894E-02 0.172E-02
DAV: 18 -0.903559094444E+02 -0.14539E-03 -0.35496E-05 712 0.326E-02 0.929E-03
DAV: 19 -0.903561368465E+02 -0.22740E-03 -0.35000E-05 561 0.290E-02 0.465E-03
DAV: 20 -0.903561742067E+02 -0.37360E-04 -0.29367E-06 480 0.105E-02 0.422E-03
DAV: 21 -0.903562319213E+02 -0.57715E-04 -0.10253E-05 403 0.187E-02 0.217E-03
DAV: 22 -0.903562406912E+02 -0.87699E-05 -0.33984E-06 477 0.893E-03
1 F= -.90356241E+02 E0= -.90361905E+02 d E =0.169930E-01