[Pw_forum] q-points in the phonon calculations
Paolo Giannozzi
giannozz at democritos.it
Thu Aug 30 20:49:28 CEST 2012
On Aug 30, 2012, at 19:19 , Elie M wrote:
> Should they be in terms of b1, b2 and b3, the reciprocal lattice
> vectors or in cartesian coordinates in terms of 2Pi/a?
the latter you said
> Is this written somewhere in the Guide...
sure it is
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users
mailing list