Dear QE users
Is "Occupations" variable necessary for Metals? It seems that the "tetrahedra"
along with occupations variable is not suitable for optimization calculations !
my studing sample is Graphite and I do not know that the specifying of the
metallicity is needed or not? a simple physical definition of "occupations"
should be useful for me. I could not find a clear one in the forum. Is this
variable related to the how should one select the K-POINTS !?
Masoud Nahali
SUT
_________________________________________________________________
Hotmail: Trusted email with Microsoft?s powerful SPAM protection.
https://signup.live.com/signup.aspx?id=60969
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20100503/a65bab67/attachment.htm