[Pw_forum] Finding effective mass

Paolo Giannozzi giannozz at democritos.it
Tue Sep 27 10:34:33 CEST 2011


On Tue, 2011-09-27 at 07:24 +0100, Padmaja Patnaik wrote:

> Is it possible to calculate effective mass using k.p method in quantum espresso?

no, it is not implemented. Anyway, as far as I remember, the k.p method
works for local (pseudo)potentials only

P.

-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





More information about the users mailing list