Hierarchy of ALGO vs IALGO
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matthewkuner
- Newbie
- Posts: 16
- Joined: Wed Oct 12, 2022 8:17 pm
Hierarchy of ALGO vs IALGO
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
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jonathan_lahnsteiner2
- Global Moderator
- Posts: 215
- Joined: Fri Jul 01, 2022 2:17 pm
Re: Hierarchy of ALGO vs IALGO
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
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