[Pw_forum] error : US j-average not yet implemented

2012-10-12 Thread Bramha Pandey 
Thank you very much Dear Prof Andrea for your kind help. it works.

On Fri, Oct 12, 2012 at 12:30 AM, Andrea Dal Corso wrote:

>
>
>
> On Thu, 2012-10-11 at 22:14 +0530, Bramha Pandey wrote:
> > Dear all
> >  i want to use the 'Ga.rel-pbe-dn-kjpaw.UPF'  and
> > 'As.rel-pbe-n-kjpaw.UPF' for the ZB-GaAs  syatem.
> > It is giving the following error:::
> > I am using espresso-5.0.1 in serial version with ubuntu-12.04.
> >
> > Error in routine setup (1):
> >  US j-average not yet implemented
> >
>
> These are fully relativistic PPs. You have to use them with
> lspinorb=.true..
>
>
> Andrea
>
>
> >
> > This error is also the  same  for the full relativistic ultrasoft
> > pseudopotential 'Ga.rel-pbe-dn-rrkjus.UPF' and
> > 'As.rel-pbe-n-rrkjus.UPF'.
> >
> > Any comment is appreciable in this regards.
> >
> > --
> > Thanks and Regards
> > Bramha Prasad Pandey
> > Ph.D Student Indian School of Mines(ISM)
> > Dhanbad, INDIA.
> >
> > ___
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
> ___
> Pw_forum mailing list
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> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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[Pw_forum] error : US j-average not yet implemented

2012-10-11 Thread Bramha Pandey 
Dear all
 i want to use the 'Ga.rel-pbe-dn-kjpaw.UPF'  and 'As.rel-pbe-n-kjpaw.UPF'
for the ZB-GaAs  syatem.
It is giving the following error:::
I am using espresso-5.0.1 in serial version with ubuntu-12.04.

Error in routine setup (1):
 US j-average not yet implemented


This error is also the  same  for the full relativistic ultrasoft
pseudopotential 'Ga.rel-pbe-dn-rrkjus.UPF' and 'As.rel-pbe-n-rrkjus.UPF'.

Any comment is appreciable in this regards.

-- 
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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[Pw_forum] error : US j-average not yet implemented

2012-10-11 Thread Andrea Dal Corso 



On Thu, 2012-10-11 at 22:14 +0530, Bramha Pandey wrote:
> Dear all
>  i want to use the 'Ga.rel-pbe-dn-kjpaw.UPF'  and
> 'As.rel-pbe-n-kjpaw.UPF' for the ZB-GaAs  syatem. 
> It is giving the following error:::
> I am using espresso-5.0.1 in serial version with ubuntu-12.04.
> 
> Error in routine setup (1):
>  US j-average not yet implemented
> 

These are fully relativistic PPs. You have to use them with
lspinorb=.true..


Andrea


> 
> This error is also the  same  for the full relativistic ultrasoft
> pseudopotential 'Ga.rel-pbe-dn-rrkjus.UPF' and
> 'As.rel-pbe-n-rrkjus.UPF'.
> 
> Any comment is appreciable in this regards.
> 
> -- 
> Thanks and Regards
> Bramha Prasad Pandey
> Ph.D Student Indian School of Mines(ISM)
> Dhanbad, INDIA.
> 
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum