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