[Wien] Help about mBJ

[hüsnü kara]

Hi,

I mean that with mBJ and without mBJ. It is 0.6 eV without mBJ, 0.5 eV with
mBJ

Best Regards,

2017-03-29 13:43 GMT+03:00 hüsnü kara <husnukara34 at gmail.com>:

> Dear Wien Users,
>
> I study on magnetic quaternary-Heusler alloys. I did band structure
> calculations with GGA and GGA+mBJ approximations. I concluded that bandgaps
> with GGA+mBJ are smaller than ones with GGA. So could I tell that GGA+mBJ
> approximation is not appopriate for quaternary-Heusler alloys?
>
> Best Regards,
>
> Hüsnü Kara
>
> ---
>



-- 

Hüsnü Kara

Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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