<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>The last number is the length of the path so far. </div><div id="AppleMailSignature">110 is equivalent to 010. Hence the path does not advance<br><br>stefano <div>(sent from my phone)</div></div><div><br>On 12 Jun 2016, at 11:29, Muthu V <<a href="mailto:muthu.physicsmath@gmail.com">muthu.physicsmath@gmail.com</a>> wrote:<br><br></div><blockquote type="cite"><div><div dir="ltr"><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">Dear QE'ions<br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">I used the Si example file provided in QE/PP/examples/example01/ (ie run_example) and in si.bands.out i noticed the following <br> high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 0.0000<br> high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.8660<br> high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 1.8660<br> high-symmetry point: 1.0000 1.0000 0.0000 x coordinate 1.8660<br> high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 3.2802<br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">how the three index ( ex. 0.5 0.5 0.5 and so on) is converted into one point ( 0.0000 0.86660 1.8660 1.8660 3.2802).<br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">and the meaning of 1.0 1.0 0.0 K_POINT in run_example file ( used in band calculation) <br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">Thank you <br>----------------------------<br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif"><b><span style="color:rgb(0,0,255)">Muthu V<br></span></b></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif"><b><span style="color:rgb(0,0,255)">Sri Paramakalyani College<br></span></b></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif"><b><span style="color:rgb(0,0,255)">Alwarkurichi<br></span></b></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)"><b><span style="color:rgb(0,0,255)">India</span></b><br>----------------------------<br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)"><br></div></div>
</div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>Pw_forum mailing list</span><br><span><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a></span><br><span><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></span></div></blockquote></body></html>