./iterations/neb0_image02_iter87_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 0.367996874649E+03 0.36800E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.468661201953E+01 -0.36331E+03 -0.34856E+03 834 0.195E+02
DAV: 3 -0.954903591578E+02 -0.10018E+03 -0.99843E+02 672 0.116E+02
DAV: 4 -0.100168156926E+03 -0.46778E+01 -0.46669E+01 712 0.287E+01
DAV: 5 -0.100260499616E+03 -0.92343E-01 -0.92301E-01 720 0.360E+00 0.222E+01
DAV: 6 -0.916611296437E+02 0.85994E+01 -0.30883E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908355807515E+02 0.82555E+00 -0.18255E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904480463204E+02 0.38753E+00 -0.56181E-01 696 0.428E+00 0.168E+00
DAV: 9 -0.903583097285E+02 0.89737E-01 -0.13912E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903518890766E+02 0.64207E-02 -0.47598E-02 704 0.128E+00 0.323E-01
DAV: 11 -0.903555080141E+02 -0.36189E-02 -0.72422E-03 616 0.486E-01 0.149E-01
DAV: 12 -0.903589004725E+02 -0.33925E-02 -0.73198E-03 610 0.477E-01 0.131E-01
DAV: 13 -0.903616564239E+02 -0.27560E-02 -0.14620E-03 968 0.325E-01 0.798E-02
DAV: 14 -0.903647386175E+02 -0.30822E-02 -0.13747E-03 637 0.177E-01 0.559E-02
DAV: 15 -0.903671115375E+02 -0.23729E-02 -0.40341E-04 661 0.113E-01 0.425E-02
DAV: 16 -0.903684963557E+02 -0.13848E-02 -0.59248E-04 656 0.136E-01 0.309E-02
DAV: 17 -0.903693895760E+02 -0.89322E-03 -0.15988E-04 781 0.848E-02 0.188E-02
DAV: 18 -0.903695463396E+02 -0.15676E-03 -0.40342E-05 704 0.332E-02 0.101E-02
DAV: 19 -0.903697535900E+02 -0.20725E-03 -0.34474E-05 559 0.287E-02 0.363E-03
DAV: 20 -0.903697919619E+02 -0.38372E-04 -0.32858E-06 488 0.959E-03 0.428E-03
DAV: 21 -0.903698384618E+02 -0.46500E-04 -0.59380E-06 420 0.138E-02 0.325E-03
DAV: 22 -0.903698514880E+02 -0.13026E-04 -0.35640E-06 477 0.961E-03 0.254E-03
DAV: 23 -0.903698538582E+02 -0.23702E-05 -0.18455E-06 504 0.861E-03
1 F= -.90369854E+02 E0= -.90375558E+02 d E =0.171131E-01