[Pw_forum] Silent Calculations

Miguel Martínez miguel.martinez at ehu.es
Fri Aug 8 13:03:53 CEST 2008

Dear Eyvaz,

Thanks for your answer. The only times I use unshifted grids are for
electron-phonon calculations and for hexagonal (trigonal) lattices. So
far, shifted meshes in phonons have worked fine for me, and they are
used extensively in the examples that run ph.x (02, 14, 15 and 24 at
least). Maybe npool isn't supported in raman calculations, but the code
doesn't complain. I don't know.

On Fri, 8 Aug 2008 03:24:12 -0700 (PDT) Eyvaz Isaev
<eyvaz_isaev at yahoo.com> wrote:
> Dear Miguel,
> It might be I am wrong, but I am not sure phonons and shifted
> k-points are compatible. At least, I never did it (i.e. used only
> unshifted k-vectors).
> As concerns your joke about August, well, it is pretty good. And add
> September, October, November, etc. This one recalled me a famous math
> problem ...
> Bests,
> Eyvaz.

Miguel Martínez Canales
   Dto. Física de la Materia Condensada
   Facultad de Ciencia y Tecnología
   Apdo. 644
   48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5326

 "If you have an apple and I have an apple and
 we exchange these apples then you and I will
 still each have one apple. But if you have an
 idea and I have an idea and we exchange these
 ideas, then each of us will have two ideas."

 George Bernard Shaw 

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