[Pw_forum] 60 atom Grain boundary...

Paolo Giannozzi giannozz at democritos.it
Wed Jan 26 08:44:30 CET 2011


Elie Moujaes wrote:

> (2) The DOS of the system is not zero at zero energy (maybe this is a 
> consequence of 1) and it is a bit wiggly as well (see graph attached)

if you use broadening to calculate the DOS, you will get a
broadened DOS.

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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