Yes. It should be an integer number corresponding to a band (Kohn-Sham state) in which you are interested.<br clear="all">----------------------------------------------------<br>Duy Le<br>Postdoctoral Associate<br>Department of Physics<br>
University of Central Florida.<br>Website: <a href="http://www.physics.ucf.edu/~dle" target="_blank">http://www.physics.ucf.edu/~dle</a><br>
<br><br><div class="gmail_quote">On Wed, Jun 27, 2012 at 1:41 PM, Gulcin Tetiker <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">
Hi Duy,<br>
<br>
Thank you for your response. It helped me a lot. I prepared the input file but getting error in the code. I believe the kband value is not correct. I am writing<br>
kband= band near fermi level. I think i should write it with numbers. What is the appropriate value for the kband? Thanks<br>
<br>
Sent from my iPhone<br>
<div class="im HOEnZb"><br>
On Jun 25, 2012, at 3:21 PM, Duy Le <<a href="mailto:ttduyle@gmail.com">ttduyle@gmail.com</a>> wrote:<br>
<br>
</div><div class="HOEnZb"><div class="h5">> Hi Gulcin,<br>
><br>
> For each Kohn-Sham state? Have you ever read the input description of PP.x?<br>
> <a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html" target="_blank">http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html</a><br>
> You just need to use appropriate plot_num and corresponding options.<br>
><br>
> -D<br>
> ----------------------------------------------------<br>
> Duy Le<br>
> Postdoctoral Associate<br>
> Department of Physics<br>
> University of Central Florida.<br>
> Website: <a href="http://www.physics.ucf.edu/~dle" target="_blank">http://www.physics.ucf.edu/~dle</a><br>
><br>
><br>
> On Mon, Jun 25, 2012 at 3:12 PM, Gulcin Tetiker <<a href="mailto:gkucukdalyan@gmail.com">gkucukdalyan@gmail.com</a>> wrote:<br>
>> Hi All,<br>
>><br>
>> I need to calculate the charge density of each state ,not the total charge,and make a 2 and 3D plot of it.<br>
>><br>
>> I could not figure out how to do so. Can someone please help me with this?<br>
>><br>
>> Thanks,<br>
>><br>
>> Gulcin<br>
>><br>
>><br>
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