[QE-users] L-ACE

Paolo Giannozzi p.giannozzi at gmail.com
Mon Mar 4 16:58:08 CET 2019


It is sufficient to specify a nonzero localization threshold
("localization_thr"). ACE is the default.

Paolo

On Mon, Mar 4, 2019 at 4:30 PM Michal Krompiec <michal.krompiec at gmail.com>
wrote:

> Hello,
> How do I activate L-ACE in QE 6.4? Just by using ACE and specifying
> non-zero localization_thr, for example 0.004 as in the paper
> https://doi.org/10.1088/2516-1075/aaf7d4 ?
> Thanks,
> Michal Krompiec
>
> Adjunct Professor
>
> School of Chemistry, University of Southampton
>
> Highfield, Southampton SO17 1BJ, UK
>
> and
>
> Head of Computational Modelling | Performance Materials | Early Research
> and Business Development
>
> Merck
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> users at lists.quantum-espresso.org
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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