[QE-users] Is there "recommended" values of cutoffs for ONCV pseudopotentials?

Michal Krompiec michal.krompiec at gmail.com
Thu Sep 24 12:55:25 CEST 2020


See http://www.pseudo-dojo.org/
Best,
Michal Krompiec
Merck KGaA

On Thu, 24 Sep 2020 at 11:53, mkondrin <mkondrin at hppi.troitsk.ru> wrote:

> Dear QE developers and users,
>
> I wonder is there recommended values of energy and charge density
> cutoffs for norm-conserving pseudopotentials like ONCV ones? For PAW
> pseudopotentials which are available at the official QE site these
> values are written in the corresponding files but for ONCV
> pseudopotentials this information is absent. Or should it be found
> experimentally by try and error starting from the rule of thumb value
> (70 Ry) ?
>
> Thanks in advance.
>
> Sincerely yours,
> M. V. Kondrin
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