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density plot
Posted: Tue Sep 23, 2014 11:40 am
by samaneh
Hello Daniele,
I plot 2D density using xcrysden but
it is not right it shows just the primitive cell!!!
Thanks for your help.
S.Ataei, University of Tehran
Re: density plot
Posted: Tue Sep 23, 2014 11:41 am
by samaneh
I attached the files.
Thanks
Re: density plot
Posted: Tue Sep 23, 2014 12:33 pm
by Daniele Varsano
Dear Smaneh,
the density is periodic. So you can replicate it. You can either uses software that do the job (xcrysden should do it), or use the quantum-espresso tool as it is exactly the same density that comes from the quantum espresso calculation.
NB> please submit your post in the appropriate section, there is a forum dedicated to ypp.
Best,
Daniele
Re: density plot
Posted: Tue Sep 23, 2014 3:13 pm
by samaneh
Dear Daniele,
Thanks but I think you did not understand what I mean!!!
I mean that it plots the primitivecell just like the plotting the
QE inputfile and it does not plot charge density?1!!!
Best
S. Ataei
Re: density plot
Posted: Tue Sep 23, 2014 3:21 pm
by Daniele Varsano
Dear Samaneh,
charge density is there, in the file you post.
In order to plot it please follow the documentation of the xcrysden software.
Here is for 2d data:
http://www.xcrysden.org/doc/density.html
I do not have xcrysden installed, so I do not know if there are other problem.
Best,
Daniele