How to generate k-point grid ?
Posted: Wed Jan 18, 2023 12:24 pm
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[ ?
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[ ?