[QE-users] About the Fermi level determination algorithm in q-e.

[Hongyi Zhao]

On Tue, Sep 15, 2020 at 4:16 PM Lorenzo Paulatto <paulatz at gmail.com> wrote:
>
> > Are the algorithms appeared in these source code files exactly
> > equivalent or not? If they are exactly equivalent, why not create a
> > common function/library for this purpose?
> Great idea !
> Please go on and do it.

I re-checked the source codes which include the subroutines for Fermi
energy determination, and find that they use different
smearing schemes/occupation functions. And it seems that
./CPV/src/efermi.f90 contains the most complete algorithms.

Regards,
HY

>
> kind regards
>
> --
> Lorenzo Paulatto - Paris
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-- 
Hongyi Zhao <hongyi.zhao at gmail.com>