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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><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.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D'>Robert Hembree<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D'>Quantum Theory Project<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D'><o:p> </o:p></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'> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org] <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)<o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p><div><div><div><div><p class=MsoNormal style='margin-bottom:12.0pt'>Dear Axel,<o:p></o:p></p></div><p class=MsoNormal>Thanks for reply.<o:p></o:p></p></div><p class=MsoNormal>You are right. So I should search for the expansion coefficients in the output file, right?<o:p></o:p></p></div><p class=MsoNormal>How can I find them in the output file?<o:p></o:p></p></div><div><p class=MsoNormal><o:p> </o:p></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:<o:p></o:p></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?<o:p></o:p></p><p>There is/are no such file(s). There is no need. The basis sets are uniquely defined by the energy cutoff. <o:p></o:p></p><p>Axel.<o:p></o:p></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><o:p></o:p></p><p class=MsoNormal><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">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><o:p></o:p></p></blockquote></div><p class=MsoNormal><o:p> </o:p></p></div></div></body></html>