Castillo via users wrote:
> Dear users,
>
> I am currently trying to perform phonon calculations on LaTe3, and one
> keypoint in order to have good results is a very well relaxed structure.
> For this purpose I use a force threshold of 1d-05 (see input file attached).
>
anne
Da: users per conto di Alejandro
Lasso Castillo via users
Inviato: mercoledì 12 giugno 2024 16:59:55
A: users
Oggetto: [QE-users] Relaxation on LaTe3
Dear users,
I am currently trying to perform phonon calculations on LaTe3, and one keypoint
in order to have good results is
Dear users,
I am currently trying to perform phonon calculations on LaTe3, and one keypoint
in order to have good results is a very well relaxed structure. For this
purpose I use a force threshold of 1d-05 (see input file attached).
However, I find that it is very difficult to achieve this
