Thank you very much Dear Prof Andrea for your kind help. it works.<br><br><div class="gmail_quote">On Fri, Oct 12, 2012 at 12:30 AM, Andrea Dal Corso <span dir="ltr"><<a href="mailto:dalcorso@sissa.it" target="_blank">dalcorso@sissa.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im"><br>
<br>
<br>
On Thu, 2012-10-11 at 22:14 +0530, Bramha Pandey wrote:<br>
> Dear all<br>
> i want to use the 'Ga.rel-pbe-dn-kjpaw.UPF' and<br>
> 'As.rel-pbe-n-kjpaw.UPF' for the ZB-GaAs syatem.<br>
> It is giving the following error:::<br>
> I am using espresso-5.0.1 in serial version with ubuntu-12.04.<br>
><br>
> Error in routine setup (1):<br>
> US j-average not yet implemented<br>
><br>
<br>
</div>These are fully relativistic PPs. You have to use them with<br>
lspinorb=.true..<br>
<br>
<br>
Andrea<br>
<div class="im"><br>
<br>
><br>
> This error is also the same for the full relativistic ultrasoft<br>
> pseudopotential 'Ga.rel-pbe-dn-rrkjus.UPF' and<br>
> 'As.rel-pbe-n-rrkjus.UPF'.<br>
><br>
> Any comment is appreciable in this regards.<br>
><br>
> --<br>
> Thanks and Regards<br>
> Bramha Prasad Pandey<br>
> Ph.D Student Indian School of Mines(ISM)<br>
> Dhanbad, INDIA.<br>
><br>
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</blockquote></div><br><br clear="all"><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>Ph.D Student Indian School of Mines(ISM)<br>Dhanbad, INDIA.<br><br>