[Wien] Band structure and Dos contradiction of an alloy

[hüsnü kara]

Dear Fabien Tran,

I was wrongly in digested mode, so  I couldn`t answer your questions. Now,
I turned as non-digested mode.

I use normally (20X20X20) 8000 k-mesh, I increased it up to 64000, the
result has no changed.

I noticed that my first e-mail was wrong. For spin down channels, both (the
bandstructure and the dos) give same (metallic) result. This result is
consistent with the literature.

For spin up channel, the bandstructure is metallic and the dos is
semiconducting. The literature claims that the material is semiconducting
for spin-up channel.

According to these results, I`m wrong for bandstructure calculations but I
know that I`m not wrong for bandstructure calculations. So if it is
possible, could you check it?

I can send you my struct file and my regular scf result.

Best Regards,

-- 

Hüsnü Kara
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