<html><body>
<div style="font-size:10pt;font-family:tahoma">Dear Paolo</div>
<div style="font-size:10pt;font-family:tahoma">Thank you very much for your comment. The problem is solved.</div>
<div style="font-size:10pt;font-family:tahoma">Best regards,</div>
<div style="font-size:10pt;font-family:tahoma">Samira</div>
<div style="font-size:10pt;font-family:tahoma"> </div>
<div style="font-size:10pt;font-family:tahoma"> </div>
<div id="signature"> </div>
<div>
<blockquote class="as91pFk8AX8sDPOUp66RUy8IoCRjefxNG8oLk8fg" style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">From: Paolo Giannozzi <p.giannozzi@gmail.com><br />
To: Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br />
Date: Sun, 2 Feb 2020 22:48:42 +0100<br />
Subject: Re: [QE-users] using q2r.x without "fildyn"0<br />
<div dir="ltr">
<div>Your input must contain the namelist, followed by the other mentioned data. The code complains about the namelist if it is not there or if it has an incorrect syntax</div>
<div> </div>
<div>Paolo</div>
</div>
<div class="gmail_quote">
<div class="gmail_attr" dir="ltr">On Sat, Feb 1, 2020 at 2:34 PM samira sheykhi <<a href="mailto:ssheykhi@aeoi.org.ir">ssheykhi@aeoi.org.ir</a>> wrote:</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Dear QE users and developers,</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">In the description of the variables at the top of file "q2r.f90", I noticed the last lines containing:</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">.</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">.</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">.</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div id="gmail-m_380177866602864173signature" style="font-size:16px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">
<div> ! If a file "fildyn"0 is not found, the code will ignore variable "fildyn"<br />
! and will try to read from the following cards the missing information<br />
! on the q-point grid and file names:<br />
! nr1,nr2,nr3: dimensions of the FFT grid formed by the q-point grid<br />
! nfile : number of files containing C(q_n), n=1,nfile<br />
! followed by nfile cards:<br />
! filin : name of file containing C(q_n)<br />
! The name and order of files is not important as long as q=0 is the first</div>
<div> </div>
<div>I tried to test the suggestion in the Si example by renaming the corresponding "fildyn"0 file which contains the q-grid information. Unfortunately I failed to successfully execute q2r.x, with error pointing to reading namelist.</div>
<div> </div>
<div>Could someone help me with providing the correct format of input file in this case.</div>
<div> </div>
<div>Samira Sheykhi, PhD</div>
<div>AEOI, Tehran, Iran</div>
<div> </div>
</div>
</div>
_______________________________________________<br />
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br />
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br />
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
<br clear="all" />
<br />
--
<div class="gmail_signature" dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br />
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br />
Phone +39-0432-558216, fax +39-0432-558222<br />
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div>
</body></html>