On Thu, 09 Apr 2009 21:48:49 +0200, Carlo Nervi <carlo.nervi at unito.it> wrote: > I generated PP with ld1 > which includes gipaw and paw (if necssary I can post also > this input file).
Hi Carlo, I'm sorry to say, but if you've generated the paw dataset yourself, there are good chances there is a ghost state, probably at high enough energy that it does not cause problems most of the time. Please send the inputs (privately, if you so wish) so I can check them. cheers -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
