[QE-users] Preconditioner

[Lorenzo Paulatto]

It is just an initial guess, maybe related to some test calculation of
silicon done 30 years ago that everyone has forgotten. You can try to
change it, but it won't make much difference if you don't go wild (in
which case, it usually gets worst)

Cheers

-- 
Lorenzo Paulatto

On Tue, 23 Feb 2021, 22:50 Andrew Xu, <andrewaccount at gmail.com> wrote:

> Hi users,
>
> The preconditioner in LR_modules/h_prec.f90 is given in terms of the
> quantity eprec, which is 1.35 times the expectation value of the kinetic
> energy. Where does the 1.35 come from?
>
> I saw that this question was asked a number of years ago in the
> developers' mailing list (
> https://lists.quantum-espresso.org/pipermail/developers/2013-May/000505.html),
> but there was no answer there.
>
> Best,
> Andrew
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