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Hierarchy of ALGO vs IALGO
Posted: Mon Jul 03, 2023 8:51 pm
by matthewkuner
If a user sets both the ALGO and IALGO in their INCAR, what happens? Does one have a preference over the other? Does it default to something else entirely? Any help is appreciated
Re: Hierarchy of ALGO vs IALGO
Posted: Tue Jul 04, 2023 8:53 am
by jonathan_lahnsteiner2
Dear matthewkuner,
If you set both ALGO will overwrite the settings of IALGO. The chosen algorithm will be the one set with the ALGO tag.
As stated in the vasp wiki one should prefer to set the algorithm of the electronic minimization
via the ALGO tag
https://www.vasp.at/wiki/index.php/IALGO
I hope this is of help.
All the best Jonathan