[Pw_forum] electronic-phonon coupling error

Paolo Giannozzi giannozz at democritos.it
Fri Oct 23 16:02:36 CEST 2009


On Oct 23, 2009, at 12:35 , Y.M.Qian wrote:

> Is anyone know what is wrong with me ?

with you, nothing that I know. With your data: did
you by any chance use "translated" k-points grid
(e.g. 16 16 16 1 1 1) ? you should use grids centered
in k- (e.g. 16 16 16 0 0 0)

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






More information about the users mailing list