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

[BENYAHIA NEZHA]

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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



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