[Wien] about the mstar program

[Dr. K. C. Bhamu]

Hii Ramazan
You can search my recent query about mstar.
Maybe you will find sufficient information there.

Regards
Bhamu


On Wed, Mar 24, 2021 at 9:47 AM Ramazan KATIRCI <ramazankatirci at sivas.edu.tr>
wrote:

> Dear Wien2k users
>
> I read the article of "Perturbation approach to ab initio effective mass
> calculations" completely and carefully. I implemented all the instructions
> in it to compare the results. But the data I acquired in minv-ij-up.data is
> different from the data presented in the article. Firstly I used default
> parameters in the bash file of mstar (E-max = 7  .inso file and Emax =10 in
> .in1 file). As I say the outputs in the minv_ij-up is completely different.
> Later, I changed the parameters of E-max=5 Ry .inso file and E-max=5  .in1
> file as specified in the article. the outputs is  different again. Although
> I used the the same parameters as the article, why the results are so
> different. Actually I want this method to compare the effective mass with
> parabolic approximation method.
>
> I have the other question. When I examined the minv_d-up.data and
> minv_c-up files, How can I understant which k points and band corresponding
> to the lowest conduction band and highest valance band.
>
> The bash and minv-ij-up files were shared with this link above;
>
>
> https://drive.google.com/drive/folders/1wkOCXyz__oLWz98cgrGUk3cLP2NCfzVB?usp=sharing
>
>
> Thank you in advance for your help
>
> Best regards
> Ramazan Katırcı
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