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
