[Pw_forum] nondegenerate electrons in DFT.

Paolo Giannozzi giannozz at democritos.it
Fri Jan 8 09:37:56 CET 2010


Jiayu Dai wrote:

> So, is there the part of xc functional at finite temperature in QE code? 

no (that is: one can use the Mermin approach, but all available xc
functionals are temperature-independent)

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



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