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<div class="moz-cite-prefix">Dear Ananya.<br>
<br>
If I remember correctly, in the ps-library distribution
<a class="moz-txt-link-rfc2396E" href="http://www.qe-forge.org/gf/project/pslibrary/frs/"><http://www.qe-forge.org/gf/project/pslibrary/frs/></a><br>
there is a Na US pseudopotential with s and p semicore states<br>
<br>
you can modify the input to make it NC (the US generation is
actually a 2-step process in which the NC version is generated
first).<br>
<br>
It's probably going to be a hard pseudo.<br>
<br>
HTH<br>
<br>
stefano<br>
<br>
PS: please don't forget to include your affiliation in your posts.
thanks<br>
<br>
-<br>
Stefano de Gironcoli<br>
SISSA and DEMOCRITOS <br>
<br>
On 08/28/2012 08:03 AM, Yue-Wen Fang wrote:<br>
</div>
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cite="mid:CAMUwqQeNjdQRhxhFNi9yeDZufgcxbdH0dKbvwh3hB7t4_1+k5Q@mail.gmail.com"
type="cite">
<pre wrap="">May be you can generate the pp using ld1.x and test it by yourself. But it
not very simple
Y.-W. Fang
2012/8/28 Ananya Mondal <a class="moz-txt-link-rfc2396E" href="mailto:ananyamondol3@gmail.com"><ananyamondol3@gmail.com></a>
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<pre wrap="">Including s and p semicore states in valence.
On 8/27/12, Ananya mondal <a class="moz-txt-link-rfc2396E" href="mailto:ananyamondol3@gmail.com"><ananyamondol3@gmail.com></a> wrote:
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<pre wrap="">Dear quantum-espresso users,
I'm looking for a PBE type Norm-conserving Troullier Martins
pseudopotential pseudopotential for Sodium.
Thanks
Ananya
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