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<div class="moz-cite-prefix">Hello Giannozzi,<br>
<br>
I changed the pseudopotential to Ni.pbe-n-kjpaw_psl.0.1.UPF and I
obtained my lattice parameter to be 3.51 Angstroms which
corresponds better with experimental data of 3.52 A. <br>
<br>
<br>
Thank you very much.<br>
<br>
Kind Regards,<br>
<br>
<br>
Elliot<br>
<br>
<br>
-----<br>
<div id="yui_3_13_0_ym1_8_1386059200249_12"><font
id="yui_3_13_0_ym1_1_1386059200249_14098" size="1"><span
id="yui_3_13_0_ym1_1_1386059200249_14114"
style="font-weight:bold;text-decoration:underline;">Elliot
Sarpong Menkah</span><br>
<font id="yui_3_13_0_ym1_1_1386059200249_14101" size="1">Graduate
Student - Computatio<font
id="yui_3_13_0_ym1_1_1386059200249_14100" size="1">nal
Chemistry / Computational Material Science.<br>
<font id="yui_3_13_0_ym1_1_1386059200249_14099" size="1">Theoretical
and Computational Chemistry<br>
Dept. of Chemistry</font><br style="font-style:italic;">
</font></font><span
id="yui_3_13_0_ym1_1_1386059200249_14109"
style="font-style:italic;">Kwame Nkrumah University of
Science and Technology (KNUST),</span><br
style="font-style:italic;">
<span id="yui_3_13_0_ym1_1_1386059200249_14097"
style="font-style:italic;">Private Mail Bag,</span><br
style="font-style:italic;">
<span id="yui_3_13_0_ym1_1_1386059200249_14110"
style="font-style:italic;">Kumasi,</span><br
style="font-style:italic;">
<span style="font-style:italic;">Ghana.</span><br>
Mobile:+233-243-055-717,+233-202-<font size="1">9</font>2<font
id="yui_3_13_0_ym1_1_1386059200249_14113" size="1">9-058</font><br>
<br>
<br>
Alt. Email: <a class="moz-txt-link-abbreviated" href="mailto:elliotsmenkah@gmail.com">elliotsmenkah@gmail.com</a></font></div>
<font size="1"><span class="tab"> </span><span class="tab">
</span><span class="tab"> </span></font><span
id="yui_3_13_0_ym1_1_1386059200249_14112" class="tab"><font
id="yui_3_13_0_ym1_1_1386059200249_14111" size="1">
<a class="moz-txt-link-abbreviated" href="mailto:elliotsmenkah@hotmail.com">elliotsmenkah@hotmail.com</a><br>
<br>
webpage:
<a class="moz-txt-link-freetext" href="http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry&mid=806&sid=2754">http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry&mid=806&sid=2754</a></font></span><br>
On 12/03/2013 04:07 PM, Paolo Giannozzi wrote:<br>
</div>
<blockquote
cite="mid:1386086841.12813.8.camel@fe12lx.fisica.uniud.it"
type="cite">
<pre wrap="">On Tue, 2013-12-03 at 15:30 +0000, Elliot Menkah wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Can you please advice me on which of the various pseudo-potentials
of Nickel that is a GGA pseudo potential please.
</pre>
</blockquote>
<pre wrap="">
you can select a functional from the menu in this page:
<a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/pseudopotentials/">http://www.quantum-espresso.org/pseudopotentials/</a>
Or, just look at the file name: GGA pseudopotentials have names
like Ni.pbe-*.UPF, Ni.pw91-*.UPF, ... Naming convention here:
<a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/pseudopotentials/naming-convention/">http://www.quantum-espresso.org/pseudopotentials/naming-convention/</a>
P.
</pre>
</blockquote>
<br>
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