Dear Maria,
if it's epsilon infinity you are interested in, the phonon code should
calculate it with USPP or PAW, you could could use the electric enthalpy
(see e.g. https://aiida-vibroscopy.readthedocs.io/).
nicola
On 14/08/2024 12:25, Lorenzo Paulatto wrote:
Hello
Hello Maria, PAW os a generalisation of USPP, and it is not implement either.
Kind regards
On August 14, 2024 12:17:31 PM GMT+02:00, "Maria Francisca Coelho Queirós"
wrote:
>Dear QE Members,
>
>I have been trying to calculate the dielectric constant for my system
>(Pr2O2SO4) using epsilon.x.
>
Dear QE Members,
I have been trying to calculate the dielectric constant for my system
(Pr2O2SO4) using epsilon.x.
First I performed a self consistent field calculation with the input below and
then when I performed the epsilon.x calculation it crashes and the error
reported below comes up:
%
