Dear QE users and developers,
The epsilon.x manual (in the PP/DOC folder) shows the possibility of
calculating occupations using the key "occ" within the epsilon.x. It is
emphasized to be a good tool to analyze convergency against the broadening
parameter and the k points sampling. However, the
Dear Andrea,
It would be great if you could share the new epsilon.f90 code. If it takes
time to merge it with the develop branch, can you put it in a separate one
for now?
Best regards,
Michal Krompiec
Merck KGaA, Darmstadt, Germany
On Wed, 8 Jul 2020 at 20:31, Andrea Ferretti
wrote:
>
> Dear
Dear Anibal,
you are right, it seems calculation="occ" is documented but no longer
there. As far as I understand, the reason is exactly that it is preferred
to directly compute the quantity of interest and perform convergence
checks on it (epsilon.x should be fast enough, though).
