[QE-users] How to generate Γ-centered k-point grid ?
NM SALMA
rose-marron2008 at hotmail.fr
Wed Jan 18 14:34:30 CET 2023
________________________________
De : NM SALMA
Envoyé : mercredi 18 janvier 2023 13:22
À : users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Objet : How to generate Γ-centered k-point grid ?
I am doing an exercise to calculate silicon crystal mobility using quantum ESPRESSO (I found this exercice in one of Quantum ESPRESSO`s tutorials in 2018. It`s the exercice number 2 in the attached file (step 5)).
I'm in a step where i should do a non self-consistent calculation on a 6x6x6 uniform and Γ-centered k-point grid with crystal coordinates in the interval [0,1[.
But i don't know how to generate this grid. Can anyone help me please (I didn't find any tutorial about how to that in the web)?
I want to know also why they chose the interval [0,1[ ?
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