On Oct 24, 2012, at 17:27 , Ben Palmer wrote: > Is there a way to convert from cif to the pwscf format? an automatic way? I am not aware of any converter 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