[xcrysden] 3D plot of charge density
Tone Kokalj
tone.kokalj at ijs.si
Fri Oct 22 14:42:42 CEST 2010
On Sat, 2010-10-09 at 08:23 +0100, Mohammad Saghayezhian wrote:
> Dear All
>
> I want to plot a 3D picture the charge density in unit cell, How can I
> do that?
>
> The charge density have been achieved using PWscf code.
First you need to create/write the denisty into XSF file by a pp.x
program (refer to PWscf documentation), and then you load it into
xcrysden.
Here is a HowTo for plotting it in xcrysden:
http://www.xcrysden.org/doc/density.html
Regards, Tone
--
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
(tel: +386-1-477-3523 // fax:+386-1-477-3822)
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