[Pw_forum] relax
Paolo Giannozzi
giannozz at democritos.it
Fri May 7 10:14:08 CEST 2010
Ngoc Linh Nguyen wrote:
> The problem comes from Pseudo Potential files. Their formats are old ones.
> You should download the new Pseudo Potential files of N and H from
> http://www.quantum-espresso.org/pseudo.php, then rerun your problem.
it's not a problem of new or old format. The problem is that one
PP is generated with Perdew-Zunger LDA, the other with BLYP
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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