./iterations/neb0_image03_iter52_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 0.367908490023E+03 0.36791E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.393327242915E+01 -0.36398E+03 -0.35073E+03 845 0.195E+02
DAV: 3 -0.953391019145E+02 -0.99272E+02 -0.98940E+02 656 0.116E+02
DAV: 4 -0.100053953138E+03 -0.47149E+01 -0.47047E+01 704 0.294E+01
DAV: 5 -0.100146338366E+03 -0.92385E-01 -0.92344E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915519564835E+02 0.85944E+01 -0.30665E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907095837321E+02 0.84237E+00 -0.18696E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.903048079309E+02 0.40478E+00 -0.57270E-01 696 0.436E+00 0.165E+00
DAV: 9 -0.902092898835E+02 0.95518E-01 -0.14358E-01 696 0.174E+00 0.436E-01
DAV: 10 -0.902010024577E+02 0.82874E-02 -0.47482E-02 704 0.116E+00 0.327E-01
DAV: 11 -0.902049111927E+02 -0.39087E-02 -0.81801E-03 605 0.521E-01 0.121E-01
DAV: 12 -0.902080477508E+02 -0.31366E-02 -0.48897E-03 642 0.334E-01 0.130E-01
DAV: 13 -0.902110839175E+02 -0.30362E-02 -0.15922E-03 832 0.326E-01 0.691E-02
DAV: 14 -0.902145669744E+02 -0.34831E-02 -0.11385E-03 634 0.153E-01 0.527E-02
DAV: 15 -0.902170018821E+02 -0.24349E-02 -0.31038E-04 704 0.972E-02 0.333E-02
DAV: 16 -0.902186792016E+02 -0.16773E-02 -0.51551E-04 680 0.123E-01 0.326E-02
DAV: 17 -0.902193315180E+02 -0.65232E-03 -0.14472E-04 760 0.779E-02 0.149E-02
DAV: 18 -0.902197401792E+02 -0.40866E-03 -0.91325E-05 647 0.479E-02 0.922E-03
DAV: 19 -0.902198279131E+02 -0.87734E-04 -0.54354E-06 488 0.168E-02 0.695E-03
DAV: 20 -0.902199010018E+02 -0.73089E-04 -0.21865E-05 538 0.298E-02 0.527E-03
DAV: 21 -0.902199291002E+02 -0.28098E-04 -0.45368E-06 472 0.154E-02 0.267E-03
DAV: 22 -0.902199406418E+02 -0.11542E-04 -0.31929E-06 448 0.915E-03 0.115E-03
DAV: 23 -0.902199456774E+02 -0.50357E-05 -0.10198E-06 453 0.480E-03
1 F= -.90219946E+02 E0= -.90228999E+02 d E =0.271594E-01