[Pw_forum] symmetry operation # not compatible with FFT grid

Miguel Martínez Canales miguel.martinez at ehu.es
Fri Feb 29 18:01:41 CET 2008



Subhradip Ghosh wrote:
> Dear Eyvaz,
> 
> Thanks. But, if I do not try to get rid of message, what could be the
> consequences?

The first that I could think of is that you are waisting CPU time for 
calculating unnecesary k-points. This also means that you'll have to work a 
bit with Vim if you want to get your fermi surface working on XCrySDen. 
There are probably more reasons, but there are also more knowledgeable 
people here.

-- 
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Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437
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