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 Mart?nez Canales Dto. F?sica de la Materia Condensada UPV/EHU Facultad de Ciencia y Tecnolog?a 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
