<div dir="ltr">Do you want to plot the band structure?<div>The answer might be the Xcrysden. ( <a href="http://www.xcrysden.org/">http://www.xcrysden.org/ </a> ) It can help you build the k point path to calculate the bands. </div>
<div>The procedure to achiev it is: 1) Run a SCF calculation and make sure the electronic properties are converged. 2) Run a NSCF restarting from the SCF you made and use the k point path suggested by Xcrysden.<br></div>
<div>
<br></div><div>or</div><div><br></div><div>Do you want to know the number o K points generated by the Monkhorst-Pack?<br></div><div><div>Check the Monkhorst pack original article: <a href="http://journals.aps.org/prb/abstract/10.1103/PhysRevB.13.5188">http://journals.aps.org/prb/abstract/10.1103/PhysRevB.13.5188</a><br>
</div></div><div><br></div><div>Regards,</div><div><br></div><div>Filipe</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, Apr 21, 2014 at 5:34 PM, Halima Zaari <span dir="ltr"><<a href="mailto:halimazaari@gmail.com" target="_blank">halimazaari@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">Dear quantum espresso users and developers<div>can you give me a help to use k_point.x to generate a path from the number of k_point</div>
<div>for expample in the case of 4*4*4 how i can find the direction of k_vector</div>
<div>thank you in advance<span class="HOEnZb"><font color="#888888"><br clear="all"><div><br></div>-- <br><div dir="ltr"><font color="#888888"><font color="#ff0000" face="georgia, serif">H.ZAARI</font><div><font face="georgia, serif">PhD Student in </font><span style="font-family:georgia,serif">laboratory of magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in Rabat - Morocco</font></div>
<div><font face="georgia, serif">Email:<u> halimazaari<font color="#3366ff"><a href="mailto:boujnah.mourad@gmail.com" target="_blank">@gmail.com</a><br></font></u></font><br></div></font></div>
</font></span></div></div>
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Filipe Camargo Dalmatti Alves Lima<br>PhD Student<br>University of São Paulo, Physics Institute, Materials Physics Department, Nanomol Group, Brazil.<br>Phones: (11) 3091-6881 (USP)<br> (11) 97408-2755 (Vivo)<br>
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