[Wien] Need help ; Calculating effective mass with fold2Bloch

[Oleg Rubel]

Thanks for bringing this issue up. I made modifications to the MATLAB
script that plots the unfolded band structure. It contains now a variable
FOLDS = [1 2 3] that represents an arbitrary multiplicity selected when
constructing a supercell. The updated script is located at
https://github.com/rubel75/fold2Bloch/tree/master/Utils

I hope it will work for you.

Thank you
Oleg

On Wed, Jan 20, 2016 at 8:29 AM, Yongbeom Cho <jj2928 at naver.com> wrote:

> Hi. Thanks for reading this.
>
> I want to calculate the effective mass from the band structure with
> fold2Bloch data.
>
> I used the parabolic approximation method to calculate effective mass.
>
> So, I need band structure which is proper to get effective mass (same
> ratio of the band width is required)
>
>
>
> Even though there is no problem to see energy band gap, I can't get the
> reasonable effective mass in my case.
>
> The band width ratio is quite weird. the ratio of the distance from gamma
> to X and the distance from gamma to L is not accurate.
>
>
>
> I used 2x2x3 structure and 3x3x2 structure.
>
> How can I plot 2x2x3 and 3x3x2 with the same ratio of 1x1x1 band structure
> with fold2Bloch and matlab?
>
> Does fold2Bloch include the solution for this case?
>
>
>
>
>
>
>
> Best regards,
>
> Yongbeom Cho.
>
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