[Wien] Help about mBJ

[hüsnü kara]

Hi,

It is not from experiment, from theoretical investigation, yes it does not
exist.

Best Regards,

2017-03-29 14:22 GMT+03:00 hüsnü kara <husnukara34 at gmail.com>:

> 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
>
>


-- 

Hüsnü Kara

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