[Wien] charge densities with xcrysden

[Peter Blaha]

When XCRYSDEN is installed properly w2web reconcnizes this automatically
and displays 2 xcrysden options in the "TASK:RHO":

The first one generates a plane, calculates rho and displays it,
the second one displays a already calculated density. This is what you'd
like to use in your case.

If you do not want to use w2web, you can do it from the commandline using

xcrysden --wien_renderdensity   case

You can easily find all options of xcrysden using    xcrysden --help

Regards

> Dear Wien 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 ?
> 
> If some one has done this before, please list all the steps.
> 
> I have not find this in the userguide of Xcrysden.
> 
> 
> Sincerely yours,
> 
> 
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> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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