[Pw_forum] phonon DOS error

Elwira Wachowicz elwira at fy.chalmers.se
Mon Jun 30 16:29:34 CEST 2003


Dear PWSCF user,

I try to calculate phonon DOS using tetrahedra method for fcc-lattice 
with 2 atoms in the unit cell. I calculated phonons in 4x4x4 grid. Now, 
I'd like to see DOS for, say, 24x24x24 mesh but I cannot do it and the 
error message is:
     from tetrahedra : error #        15
     cannot locate  k point
 
Where could be the reason for such an error?

I'd be happy if I could get any help.

Best wishes,

Elwira Wachowicz






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