[Pw_forum] calculation 'band' not allowed

sufyan sufeer03 at gmail.com
Thu Jan 9 16:50:53 CET 2014


Dear Pietro Bonfa',
Many thanks for your replay,
it works very well


2014/1/9 Pietro Bonfa' <pietro.bonfa at fis.unipr.it>

> Use:
>
>     calculation='bands'
>
> not
>
>     calculation='band'
>
> Bests,
> Pietro Bonfa'
>
> On 01/09/2014 04:22 PM, sufyan wrote:
> > Dear developers and users,
> > I run some calculations of mono layer graphene with two atoms.
> > the sfc calculations is converged very well,however when i run band
> > calculations
> > i get this error:
> >
> > from  control_checkin     : error #         1
> >       calculation 'band' not allowed
> > the file of the two calculations are attached herebelow
> >
> > any help will be appreciated
> >  and thanks
> >
> > Sufyan SA Naji
> > LMPHE,FSR,U M. V-Agdal,Rabat,Morocco
> >
> >
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> >
>
>
> --
> Pietro Bonfa' - PhD student
> Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni"
> Viale delle Scienze 7A
> 43124 Parma - Italy
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>
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