<div dir="ltr"><div>Dear sir <br></div>I am new at QE want to solve my Graphene problem with QE,Is it possible to solve with this software sir,or not.<br>with regards<br> <br></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><font>Surender Pratap<br>Research Scholar<br>Physics Department<br>BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...<br></font></div><font><font>Mob-<font>7891949445</font></font><br></font><br><div><font color="#990000" face="tahoma, sans-serif"><img src="cid:part1.08000902.09030905@bits-pilani.ac.in"><br></font></div><div><p style="margin-top:6.85pt;margin-right:0cm;margin-left:0cm;margin-bottom:0.0001pt">
<b><span style="font-family:"Arial","sans-serif";color:#211d70">Birla Institute of Technology &
Science,</span></b><span style="font-family:"Arial","sans-serif";color:#211d70"> Pilani</span></p>

<p><span style="color:rgb(33,29,112);font-family:Arial,sans-serif;font-size:8.5pt">Pilani 333031, Rajasthan, India</span></p></div></div></div></div>
<br><div class="gmail_quote">On Tue, Dec 30, 2014 at 11:24 PM, Sadegh Ghaderzadeh <span dir="ltr"><<a href="mailto:sa.ghaderzadeh@gmail.com" target="_blank">sa.ghaderzadeh@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div>Dear Robert Hembree,<br><br></div>Thank you very much for your attention and guidance. <br></div><br>Regards<span class="HOEnZb"><font color="#888888"><br>Sadegh Ghaderzadeh<br></font></span></div><span class="HOEnZb"><font color="#888888">Isfahan university of technology<br><div><div><div><span style="font-size:11pt;font-family:"Calibri",sans-serif;color:rgb(31,73,125)"></span></div></div></div></font></span></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Dec 30, 2014 at 9:44 AM, Robert Hembree <span dir="ltr"><<a href="mailto:hembreerofphysics@gmail.com" target="_blank">hembreerofphysics@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div link="blue" vlink="purple" lang="EN-US"><div><p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Getting the expansion coefficients isn’t very difficult. I found the easiest way for me was to use pw_export.x and then look at the resulting xml file. If you dig through the pw_export.x code you can work out how to access them more directly.<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p><p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Robert Hembree<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Quantum Theory Project<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p><p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a> [mailto:<a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a>] <b>On Behalf Of </b>Sadegh Ghaderzadeh<br><b>Sent:</b> Tuesday, December 30, 2014 1:11 AM<br><b>To:</b> PWSCF Forum<br><b>Subject:</b> Re: [Pw_forum] Basis sets (plane wave)<u></u><u></u></span></p><div><div><p class="MsoNormal"><u></u> <u></u></p><div><div><div><div><p class="MsoNormal" style="margin-bottom:12.0pt">Dear Axel,<u></u><u></u></p></div><p class="MsoNormal">Thanks for reply.<u></u><u></u></p></div><p class="MsoNormal">You are right. So I should search for the expansion coefficients in the output file, right?<u></u><u></u></p></div><p class="MsoNormal">How can I find them in the output file?<u></u><u></u></p></div><div><p class="MsoNormal"><u></u> <u></u></p><div><p class="MsoNormal">On Tue, Dec 30, 2014 at 8:57 AM, Axel Kohlmeyer <<a href="mailto:akohlmey@gmail.com" target="_blank">akohlmey@gmail.com</a>> wrote:<u></u><u></u></p><blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0in 0in 0in 6.0pt;margin-left:4.8pt;margin-right:0in"><p><br>On Dec 30, 2014 5:54 AM, "Sadegh Ghaderzadeh" <<a href="mailto:sa.ghaderzadeh@gmail.com" target="_blank">sa.ghaderzadeh@gmail.com</a>> wrote:<br>><br>> Dear QE users,<br>><br>> I have a simple question. How can I find the file(s) containing basis sets (plane waves)? I mean, where is the file in the installation directory?<u></u><u></u></p><p>There is/are no such file(s). There is no need. The basis sets are uniquely defined by the energy cutoff. <u></u><u></u></p><p>Axel.<u></u><u></u></p><p>><br>> Thank in advance<br>><br>> Sadegh Ghaderzadeh<br>><br>> _______________________________________________<br>> Pw_forum mailing list<br>> <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>> <a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><u></u><u></u></p><p class="MsoNormal"><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><u></u><u></u></p></blockquote></div><p class="MsoNormal"><u></u> <u></u></p></div></div></div></div></div><br>_______________________________________________<br>
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