[Thermo_pw-forum] TR: Strange band structure of doped compound

[Andrea Dal Corso]

The automatic path works for bulk systems.
For supercells in some cases you might have to
give in input the coordinates of the points of the path.

Andrea

Quoting BENYAHIA NEZHA <benyahia-nezha at hotmail.fr>:

> ________________________________
> De : BENYAHIA NEZHA
> Envoyé : samedi 3 avril 2021 17:27
> À : thermo_pw-forum at lists.quantum-espresso.org  
> <thermo_pw-forum at lists.quantum-espresso.org>
> Objet : Strange band structure of doped compound
>
> Dear thermo-pw users,
> I have calculated the band-structure of a supercell at 6H doped  
> polytype, However, it gaves me same energies at "gamma" and "A"  
> hight symmetry points.
> is it normal to have this result? also, the bands between Gamma and  
> A points are strange!!!!!!What is the reason and how to correct  
> that????
>  please help me.
>
> Thank you very much in advance for your time.
>
>
> Sincerely yours
>
>
>
> BENYAHIA NEZHA
>
> LEPMF LABRATOTY/ USTOMB
>
> ORAN-ALGERIA