Thanks. That’s exactly what I needed.
Chong
From: Nick Papior<mailto:nickpap...@gmail.com>
Sent: Saturday, January 29, 2022 1:04 PM
To: siesta-l<mailto:siesta-l@uam.es>
Subject: Re: [SIESTA-L] How does siesta calculate bands in a gamma-point-only
scf calculation?
Hi,
Simply add
Hi,
Simply add this to your fdf file:
ForceAuxCell true
Den fre. 28. jan. 2022 kl. 22.01 skrev Chong Wang :
> Dear siesta developers,
>
>
>
> I am trying to read HSX file and calculate corresponding band structure
> myself (because I need wave function information). The HSX file is
> generated