Re: [QE-users] k-points selection for Band Structure calculation

Hello, You can find the k vectors for hexagonal Si here: https://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list I have chosen the "simplest" hexagonal system (n°168), but you can change it if necessary here:

[QE-users] k-points selection for Band Structure calculation

Hey everyone, I am trying to study the effect of pressure on the band structure of *'Si - simple hexagonal (Phase V)*', which is stable between 17 to 30 GPa (approx.) Here is a paper published in Nature ( https://www.nature.com/articles/s41586-020-2150-y), which has a figure with the band