[Pw_forum] Suitable pseudopotentials for LiH..H2O
giannozz at democritos.it
Fri Jun 17 20:58:42 CEST 2011
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
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