<div dir="ltr"><div>An improved documentation of average.x can be found in the header of the development version of file PP/src/average.f90: <a href="https://github.com/QEF/q-e/blob/master/PP/src/average.f90" target="_blank">https://github.com/QEF/q-e/<wbr>blob/master/PP/src/average.f90</a><br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Sep 16, 2017 at 9:11 PM, shashi bhusan mishra <span dir="ltr"><<a href="mailto:mshashi125@gmail.com" target="_blank">mshashi125@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"><img class="m_-5826428499533001815mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/4d1e85fd671d16a137389ee1d737507fcb82b9f4.png?u=949040" width="0" height="0"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Dear QE users,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"> I have a query regarding calculation of macroscopic and planar average potential. While creating the input for average potential, what is the role of the term <b>awin</b> (<span style="color:rgb(0,0,0);font-family:arial,sans-serif"> the size of the window for macroscopic averages). Can anyone give some more detail about the role of awin term and how to choose suitable size ? </span></div><div class="gmail_default"><font color="#000000"> In addition to that while calculating the planar average, though I specified nx,ny and nz values, the program sets automatic mesh grid size. Is it automatic or user specified ? The file format is shown below: </font></div><div class="gmail_default"><font color="#000000"> </font>&inputPP</div><div class="gmail_default"> outdir='/',</div><div class="gmail_default"> plot_num=11</div><div class="gmail_default"> filplot = 'test.pot'</div><div class="gmail_default"> / &plot</div><div class="gmail_default"> iflag=3,</div><div class="gmail_default"> output_format=3</div><div class="gmail_default"> nx=51,ny=51,nz= 121</div><div class="gmail_default"> / </div><div class="gmail_default">and averge input file:</div><div class="gmail_default"><span style="color:rgb(0,0,0)">1</span></div><div class="gmail_default"><span style="color:rgb(0,0,0)">filename</span></div><div class="gmail_default"><span style="color:rgb(0,0,0)">1.0</span></div><div class="gmail_default"><span style="color:rgb(0,0,0)">3000</span></div><div class="gmail_default"><span style="color:rgb(0,0,0)">3</span></div><div class="gmail_default"><span style="color:rgb(0,0,0)">2.59</span></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Thanks in advance.</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Thanks and regards,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div><div class="m_-5826428499533001815gmail_signature"><div dir="ltr"><div><div><div><div>Shashi Bhusan Mishra<br></div>Research Scholar,<br></div>Dept. <div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;display:inline">o</div>f Physics,<br></div>Room No- HSB209A<br></div>IIT Madras-36<br><br></div></div></div><br><br><div style="display:inline">
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