[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



More information about the users mailing list