[Pw_forum] Prolems with tetrahedra method

[Paolo Giannozzi]

On Apr 18, 2011, at 12:32 , yumin qian wrote:
>
> what I mean is when I use the kvec_FS.x to generate
> the k-points and add the k-points to the the input file
> for the nscf calculation. I run the pw.x  the output give
>
> >     from tetrahedra : error #         1
> >     cannot remap grid on k-point list

you cannot do this. pw.x with tetrahedra works only if
the (unshifted) k-point grid is provided via keywords
K_POINTS automatic
N1 N2 N3 0 0 0

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222