Hi

Yes

ACE is the default, so no need to activate it. As for the localization it is enough to specify localization_thr > 0.

Pietro

On 04/03/19 16:30, Michal Krompiec 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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