> 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 used pseudopotential of Hydrogen for Oxigen and vice versa. Viet SISSA, Trieste. ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
