On Dec 6, 2010, at 6:34 , Mahmoud Payami wrote: > Is it possible to do pwscf calculations with a simple model > pseudopotential > (for example, Ashcroft empty-core) without doing much effort on pw > code?
if the model pseudopotential can be written as a "normal" pseudopotential in separable form, you just have to fill the pseudopotential file with what you want P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
