> > / > ATOMIC_SPECIES > O 16.00000 H_US.van > H 1.00000 O_US.van >
This may be the reason for your problem. You probably have use pseudopotential of Hydrogen for Oxigen and vice versa. Viet -- Mr. Viet Huy Nguyen PhD student, Condensed Matter Theory Sector SISSA/ISAS Via Beirut 2-4, 34014, Trieste, Italy Tel: +39 040 3787 492 Fax: +39 040 3787 528 Email: nhviet at sissa.it hviet.nguyen at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080331/7e9a7050/attachment.htm
