On Jun 17, 2011, at 8:12 , psavita at crlindia.com wrote: > Is there any other PS that may lead to proper structure? Or is > it that plane wave approach does not suit systems of this kind?
what makes you think that the problem is in the pseudopotentials or in plane waves? --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
