[Pw_forum] Input file for Cd6Se6

[Ruibin Liu]

Thank you for answering again. In general, how to solve this problem?

On Fri, Aug 17, 2012 at 1:49 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Aug 17, 2012, at 19:46 , Ruibin Liu wrote:
> >
> > When I tried to do a scf calculation for a Cd6Se6(NH3)6 system with
> > this input file
> > [...]
> > qe told me there is 'illegal instruction'. What is the problem? How
> > to fix it?
>
> bad compilation. The same question was answered a few days ago.
>
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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-- 
*Liu, Ruibin*
Department of Chemistry
Duke University
Durham, NC, 27708
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