[Pw_forum] Charge density of each state

Gulcin Tetiker gkucukdalyan at gmail.com
Wed Jun 27 19:41:54 CEST 2012


Hi Duy,

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 
kband= band near fermi level. I think i should write it with numbers. What is the appropriate value for the kband? Thanks

Sent from my iPhone

On Jun 25, 2012, at 3:21 PM, Duy Le <ttduyle at gmail.com> wrote:

> Hi Gulcin,
> 
> For each Kohn-Sham state? Have you ever read the input description of PP.x?
> http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html
> You just need to use appropriate plot_num and corresponding options.
> 
> -D
> ----------------------------------------------------
> Duy Le
> Postdoctoral Associate
> Department of Physics
> University of Central Florida.
> Website: http://www.physics.ucf.edu/~dle
> 
> 
> On Mon, Jun 25, 2012 at 3:12 PM, Gulcin Tetiker <gkucukdalyan at gmail.com> wrote:
>> Hi All,
>> 
>> I need to calculate the charge density of each state ,not the total charge,and make a 2 and 3D plot of it.
>> 
>> I could not figure out how to do so. Can someone please help me with this?
>> 
>> Thanks,
>> 
>> Gulcin
>> 
>> 
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