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