[Pw_forum] Suitable pseudopotentials for LiH..H2O

[Paolo Giannozzi]

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?
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222