[Pw_forum] Charge density of each state

[Duy Le]

Yes. It should be an integer number corresponding to a band (Kohn-Sham
state) in which you are interested.
----------------------------------------------------
Duy Le
Postdoctoral Associate
Department of Physics
University of Central Florida.
Website: http://www.physics.ucf.edu/~dle


On Wed, Jun 27, 2012 at 1:41 PM, Gulcin Tetiker <gkucukdalyan at gmail.com>wrote:

> 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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