> > ATOMIC_SPECIES > O 16.00000 H_US.van > H 1.00000 O_US.van >
This may be the reason for your problem. You might use pseudopotential of Hidrogen for Oxigen and vice versa. Viet -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080331/2e55db7f/attachment.htm
