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<div class="moz-cite-prefix">Dear Geoffrey,<br>
<br>
Ultrasoft pseudopotentials are not implemented, according to line
58 of epsilon.f90:<br>
" ! USPP are not implemented (dipole matrix elements are not
trivial at all)"<br>
<br>
Alexandra<br>
<br>
<br>
On 09/05/2014 10:50, H.Y Geoffrey Tse wrote:<br>
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<p class="MsoNormal">Dear users,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I have a quick question to ask – if I wish
to perform epsilon.x in investigating the optical properties,
is it not the right choice to use the ultrasoft, but with the
norm-conserving pseudopotential when running the scf
calculation instead?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best,<o:p></o:p></p>
<p class="MsoNormal">Geoffrey<o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:14.0pt;color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt;color:black">+--------------------------------</span><span
style="font-size:8.0pt;color:black">---------------------------------------------</span><span
style="font-size:8.0pt;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">H.Y Geoffrey
Tse, Postdoctoral, <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Room N202,
Physics Building<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Peking
University<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Haidian
District<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Beijing
100871<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">P.R China<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Tel: (+86)
18811792348<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt">Email:
<a class="moz-txt-link-abbreviated" href="mailto:geoffrey.tse@pku.edu.cn">geoffrey.tse@pku.edu.cn</a><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:8.0pt;color:black">+--------------------------------</span><span
style="font-size:8.0pt;color:black">---------------------------------------------</span><span
style="font-size:8.0pt;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<br>
<pre class="moz-signature" cols="72">--
Alexandra Carvalho (雅丽）
Research Fellow
NUS Graphene Research Centre, Office S16-06-07
Singapore</pre>
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