[Wien] metal or semiconductor

[Wien2k User]

Dear Prof. Laurence Marks
thank you very much for your reply

my scientific reasoning is the following;
i noticed that mbj and GGA+U give almost the same band topology except that
mBJ caused a band shift that showed semiconductor behavior,
i think that mBJ is better suited to describe band-gaps than  GGA+U, i
think the material is semiconductor

I still have a confirmation or another explanation

Le mer. 7 août 2019 à 19:30, Laurence Marks <laurence.marks at gmail.com> a
écrit :

> A good question which nobody can answer for you. These questions are why
> we do science.
>
> _____
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu
>
> On Wed, Aug 7, 2019, 18:22 Wien2k User <wien2k.user at gmail.com> wrote:
>
>> Dear Wien2k users;
>>
>>
>> after  GGA+U+SOC calculation,  I found that the studied material is a
>> metal ( even for a large value of Ueff ) but when I redid another
>> calculation with mBJ based on GGA+U+SOC {mbj(GGA+U+SOC)}, I found a
>> semiconductor.
>>
>> Which of these two behaviors is the most correct?
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