[Wien] incorrect band gap

[TUX naughty]

Hello dear Prof. P. Blaha and WIEN2k users
Is there any possibility that this problem is because I was supposed to
relax the supercell and find the correct places of atoms after I made
supercell and get the minimum energy?

On Mon, May 2, 2011 at 12:22 PM, TUX naughty <naughtytux at gmail.com> wrote:

> Hello Dear Wien2k user;
>
> I'm working on AlxGa1-xAs using WIEN2k_09 code. I couldn't have obtained
> correct band gap in the indirect region. I replaced Ga -in a supercell that
> is based on GaAs- with Al in alloy but with GGA approximation I couldn't
> find an indirect gap. Then I've applied Engel-Vosko approximation but I've
> got a indirect gap in the Gamma-R direction that was supposed to be in the
> L-Gamma-R direction. I don't know where my mistake is?!
>
> I would appreciate any help on this,
>
> Thanks
>
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