<html><head></head><body bgcolor="#FFFFFF"><div>Thanks for the response. I used those numbers also but the code gave error. I guess they symbolize different things. For example, if we only wanna calculate the charge density in gamma point kpoint should be 1. Also, for kband someone use "band near fermi level". I was just wondering where can i get all these information<br></div><div><br></div><div>Regards,</div><div><br>On Jun 27, 2012, at 4:54 PM, Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@impmc.upmc.fr">lorenzo.paulatto@impmc.upmc.fr</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div><div class="gmail_quote">On Wed, Jun 27, 2012 at 10:11 PM, Gulcin Kucukdalyan <span dir="ltr"><<a href="mailto:gkucukdalyan@gmail.com" target="_blank">gkucukdalyan@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> kpoint = </div><div> kband = </div><div></div></blockquote></div><div><br></div><div>kpoint is the number of the k-ptoint, as written in output at the beginning of the pw.x calculation.</div><div><br></div><div>
kband is the band number, from the lower to the higher, the band energy is also printed in output at the end of the pw.x calculation.</div><div><br></div><div>bests</div><br clear="all"><div><br></div>-- <br><div>Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6</div>
<div>phone: +33 (0)1 44275 084 / skype: paulatz</div><div>www: <a href="http://www-int.impmc.upmc.fr/~paulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a></div><div>mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</div>
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