[xcrysden] wien2k fermi surface calculation

[Tone Kokalj]

On Fri, 2012-03-02 at 12:42 -0800, Yundi Quan wrote:
> Hi,
> When using xcrysden to calculate the Fermi surface for WIEN2k, it
> seems that xcrysden does not take into consideration the LDA+U. I
> mean, xcrysden does not have an option for x lapw1 -up -orb. Is it
> fine for me to run x lapw1 -up -orb separately?

Yes, I believe so. You can do all the required steps manually and then
click the "Render Fermi Surface" button.

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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