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

[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.
> 
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