[Pw_forum] A problem K_POINTS nq and q2r.x in calculation of dispersion curve and DOS.

[Paolo Giannozzi]

On Oct 25, 2007, at 3:12 , shoutian sun wrote:

> >    ibrav=  2, celldm(1) =7.6197064734844, nat= 1, ntyp= 1

this is a cubic (fcc) lattice, with full cubic (O_h) symmetry

> >  nq1=3, nq2=2, nq3=2

this grid does not have cubic symmetry, so...

> >     q not allowed

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
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