[xcrysden] charge densities from Wien2k
Tone Kokalj
xcrysden@democritos.it
Mon, 22 Aug 2005 09:56:57 +0200
On Fri, 2005-08-19 at 13:20 +0200, Souraya GOUMRI-SAID wrote:
> Dear Xcrysden user,
>
> I have a question about the presentation of charge densities with Xcrysden.
>
> I have made a scf calculation with wien 2k, after using the Xcrysden, I have
> chosen a plane to calculate the charge densities countour with lapw5. Finally
> I obtain the charge densities with rhoplot. I have no pb with that.
>
> My question is, is it possible to represent the obtained charge density from
> wien2k with Xcrysden ?
A useful hint. Try: xcrysden --help
This will print all command line options. For your particular case you
can find:
--wien_renderdensity <directory>
reads "struct", "output5" and "rho" files and
renders
crystalline structure and precomputed charge
density.
This means all you need to do is: xcrysden --wien_renderdensity
directory.
Regards, Tone