[Pw_forum] again on "charge is wrong" error

Lorenzo Paulatto paulatto at sissa.it
Fri Apr 10 10:20:11 CEST 2009

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.


Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

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