[QE-users] How to generate Γ-centered k-point grid ?

[Paolo Giannozzi]

There is an auxiliary code "kpoints.x" that generates k-points grids

Paolo

On 18/01/2023 14:34, NM SALMA wrote:
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> ------------------------------------------------------------------------
> *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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216