./iterations/neb0_image01_iter11_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 0.364806752479E+03 0.36481E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.244647342316E+01 -0.36236E+03 -0.35046E+03 847 0.195E+02
DAV: 3 -0.958012348548E+02 -0.98248E+02 -0.97929E+02 696 0.116E+02
DAV: 4 -0.100061227491E+03 -0.42600E+01 -0.42499E+01 704 0.271E+01
DAV: 5 -0.100145521639E+03 -0.84294E-01 -0.84246E-01 728 0.339E+00 0.222E+01
DAV: 6 -0.915132753179E+02 0.86322E+01 -0.31102E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.907039438443E+02 0.80933E+00 -0.17933E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.903251173058E+02 0.37883E+00 -0.57021E-01 728 0.433E+00 0.167E+00
DAV: 9 -0.902424605003E+02 0.82657E-01 -0.13508E-01 736 0.163E+00 0.434E-01
DAV: 10 -0.902371558734E+02 0.53046E-02 -0.44774E-02 704 0.124E+00 0.318E-01
DAV: 11 -0.902405822219E+02 -0.34263E-02 -0.57488E-03 608 0.491E-01 0.154E-01
DAV: 12 -0.902442599824E+02 -0.36778E-02 -0.78578E-03 624 0.484E-01 0.134E-01
DAV: 13 -0.902472258512E+02 -0.29659E-02 -0.18142E-03 837 0.346E-01 0.726E-02
DAV: 14 -0.902498891951E+02 -0.26633E-02 -0.10925E-03 629 0.148E-01 0.531E-02
DAV: 15 -0.902522362003E+02 -0.23470E-02 -0.36119E-04 680 0.922E-02 0.390E-02
DAV: 16 -0.902534451067E+02 -0.12089E-02 -0.35871E-04 693 0.105E-01 0.212E-02
DAV: 17 -0.902541886476E+02 -0.74354E-03 -0.76190E-05 653 0.472E-02 0.195E-02
DAV: 18 -0.902545254766E+02 -0.33683E-03 -0.73153E-05 680 0.453E-02 0.704E-03
DAV: 19 -0.902546344804E+02 -0.10900E-03 -0.11784E-05 461 0.217E-02 0.510E-03
DAV: 20 -0.902546988016E+02 -0.64321E-04 -0.10490E-05 434 0.170E-02 0.387E-03
DAV: 21 -0.902547309561E+02 -0.32154E-04 -0.69571E-06 464 0.141E-02 0.295E-03
DAV: 22 -0.902547338941E+02 -0.29380E-05 -0.16008E-06 544 0.879E-03
1 F= -.90254734E+02 E0= -.90262386E+02 d E =0.229573E-01