[Pw_forum] OPIUM pp *.ncpp files error in pw.x to Prof. Paolo Giannozzi

Paolo Giannozzi giannozz at democritos.it
Tue Sep 2 10:55:27 CEST 2008


明文美 wrote:

> thanks for you kind reply, actually I want to calculate 
> electron-interaction in metallic ZrNi2Ga,
> but ultrasoft pseudopotential yields somewhat bad results

any evidence that the "somewhat bad results" are due to the
pseudopotentials?
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



More information about the users mailing list