[Pw_forum] inconsistent number of sticks in nscf calculation

Hande Ustunel hande at newton.physics.metu.edu.tr
Thu Apr 10 15:25:52 CEST 2008


Dear Paolo,

> they are way beyond the first Brillouin Zone. If you give a list of  
> "good"
> k-points the error disappears. Remember that k-points are by default in
> units of 2pi/a, where a = lattice parameter, but you set a=1! this is  


Thank you very much for the explanation. In fact, if I decrease the range
of the kpoints, it works which means that I was exceeding the edge of the
BZ earlier. I'll do a sanity check on the kpoints then.

Best wishes,
Hande

-- 
Hande Ustunel
Department of Physics
Office 439
Middle East Technical University
Ankara 06531, Turkey
Tel : +90 312 210 3264
http://www.physics.metu.edu.tr/~hande




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