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Dear Eliya,
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<div class="">Those PSPs were generated with the atomic code. I guess users can generate their own PSPs if they are not readily available.</div>
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<div class="">Cheers,</div>
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</div>
<div class="">Vahid<br class="">
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Dec 5, 2017, at 3:06 AM, Eliya Asmani <<a href="mailto:eliya6191@gmail.com" class="">eliya6191@gmail.com</a>> wrote:</div>
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<div class="">Dear Vahid,<br class="">
<br class="">
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Thank you for your guidance. <br class="">
It contains NC fully relativistic PS for many elements. But unfortunately It doesn't have any thing for W.
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Best<br class="">
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Eliya<br class="">
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<div class="gmail_extra"><br class="">
<div class="gmail_quote">On Tue, Dec 5, 2017 at 2:14 AM, Vahid Askarpour <span dir="ltr" class="">
<<a href="mailto:vh261281@dal.ca" target="_blank" class="">vh261281@dal.ca</a>></span> wrote:<br class="">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="word-wrap:break-word;line-break:after-white-space" class="">The website <a href="http://theossrv1.epfl.ch/Main/Pseudopotentials" target="_blank" class="">http://theossrv1.epfl.<wbr class="">ch/Main/Pseudopotentials</a> has untested NC fully relativistic
PSP for both PBE and PZ (LDA). They are in the files rel-pbe.0.3.1.tgz and rel-pz.0.3.1.tgz.
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<div class="">Cheers,</div>
<div class=""><br class="">
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<div class="">Vahid</div>
<span class="HOEnZb"><font color="#888888" class="">
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<div class=""><span class="HOEnZb"><font color="#888888" class="">Vahid Askarpour<br class="">
Department of Physics and Atmospheric Science<br class="">
Dalhousie University,<br class="">
Halifax, NS, Canada</font></span>
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<div class="h5"><br class="">
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<blockquote type="cite" class="">
<div class="">On Dec 4, 2017, at 12:00 PM, Eliya Asmani <<a href="mailto:eliya6191@gmail.com" target="_blank" class="">eliya6191@gmail.com</a>> wrote:</div>
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<div class="">Dear Lorenzo,<br class="">
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</div>
Thanks for your reply. <br class="">
<br class="">
I want to calculate optical properties and it is important to consider SOC in our calculations. About norm-conserving pseudopotential, I'm not sure. But I don't know why it is usually used the norm-conserving PP. I would be glad somebody can give me any suggestions
about it.<br class="">
<br class="">
</div>
Best,<br class="">
<span class="m_6251774618737480161gmail-im">Eliya Asmani,<br class="">
<br class="">
School of Physics, Institute for Research in Fundamental Sciences (IPM)<br class="">
Tehran, Iran</span><br class="">
<br class="">
<br class="">
</div>
<div class="gmail_extra"><br class="">
<div class="gmail_quote">On Mon, Dec 4, 2017 at 11:21 AM, Lorenzo Paulatto <span dir="ltr" class="">
<<a href="mailto:paulatz@gmail.com" target="_blank" class="">paulatz@gmail.com</a>></span> wrote:<br class="">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<span class="">> I would like to perform calculations for w and Te with SOC effect. I<br class="">
</span>> could not find full relativistic _normconserving_ pseudopotential for<br class="">
> them.<br class="">
<br class="">
Hello,<br class="">
why do you need this specific combination? I cannot think of any code<br class="">
that can do SOC but not US. Mostly thanks to Andrea Dal Corso being the<br class="">
main author of both.<br class="">
<br class="">
That said, I was able to re-generate some of the SG15-ONCV<br class="">
pseudopotentials (which are norm-conserving) with the full-relativistic<br class="">
version of the ONCV code, without too much hassle, just spending a day<br class="">
reading the documentation and testing.<br class="">
<br class="">
Disclaimer!<br class="">
Please note that:<br class="">
1. I am in no way related to the SG15 library or the ONCV code<br class="">
2. I do not have time to support every code in the world.<br class="">
<br class="">
Please do NOT ask ME for help on this subject, I won't provide any.<br class="">
<br class="">
kind regards<br class="">
<span class=""><br class="">
<br class="">
> As I know in PSlibrary, we can make just for Ultrasoft and PAW<br class="">
> pseudopotentials.<br class="">
><br class="">
> Can someone quid me to find it?<br class="">
><br class="">
> Eliya Asmani,<br class="">
> Postdoctoral Researcher<br class="">
> School of Physics, Institute for Research in Fundamental Sciences (IPM)<br class="">
> Tehran, Iran<br class="">
><br class="">
><br class="">
><br class="">
><br class="">
</span>> ______________________________<wbr class="">_________________<br class="">
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<span class="m_6251774618737480161HOEnZb"><font color="#888888" class=""><br class="">
--<br class="">
Lorenzo Paulatto - Paris<br class="">
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