[ADF-LIST] Information about the numerical quality

Karine Costuas karine.costuas at univ-rennes1.fr
Fri Jun 25 09:18:44 CEST 2021

Dear all,

I am unable to find information about the criteria values associated with the numerical integration accuracy now proposed in ADF.
Would it be possible to avec the threshold values (energy, gradient, integration…) associated with normal, good, very good options.

Thank you, regards,

Karine Costuas
CNRS researcher
Institut des sciences chimiques de Rennes
UMR 6226 CNRS - Université de Rennes 1 (France)
kcostuas at univ-rennes1.fr
Tel. +33 (0)2 23 23 69 73
https://iscr.univ-rennes1.fr/inorganic-theoretical-chemistry-cti <https://iscr.univ-rennes1.fr/inorganic-theoretical-chemistry-cti>

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