[Octopus-users] Question about XCrysDen

[David Strubbe]

Pablo,

The value for Output is what you want to plot an isosurface of:
wavefunctions, density, ELF, Hartree potential, etc. To get an isosurface in
XCrySDen, load it as a DataGrid, and then use the isosurface tab. You can
find more info on the XCrySDen website at xcrysden.org.

David

2009/12/22 Pablo García Risueño <garcia.risueno at gmail.com>

> Hello
> Could somebody tell me how to display isosurfaces in XCrysDen using as
> input the results of Octopus? I know it is necessary to specify the variable
> OutputHow=xcrysden, but I am not sur about the necessary value for Output
> and the way I must use XCrysDen to plot the isosurface
> Thank you very much
>
> --
> --
> Pablo García Risueño
>
> Instituto de Biocomputación y
> Física de los Sistemas Complejos (BIFI)
>
> Departamento de Física Teórica
> Universidad de Zaragoza
>
> _______________________________________________
> Octopus-users mailing list
> Octopus-users at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-users
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.tddft.org/pipermail/octopus-users/attachments/20091222/71ee9740/attachment.html