Wiki error: INCAR flag "NDAV" described in Wiki not anymore functional (now: "NRMM")

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juergen.furthmueller
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Wiki error: INCAR flag "NDAV" described in Wiki not anymore functional (now: "NRMM")

#1 Post by juergen.furthmueller » Mon Jul 05, 2021 11:04 am

I have noticed that INCAR flag "NDAV" described in the VASP Wiki is actually not (anymore) read from INCAR but instead a flag "NRMM" is used (to internally set variable NDAV) after being a bit confused that playing around with "NDAV" in INCAR actually nothing happened (always the same iteration progress). One should urgently update the Wiki for that and maybe also mention that "NRMM" is not only determining the maximum iteration depth for the RMM algorithms (IALGO=4X or 6X) but also (still) for the Davidson algorithms (IALGO=3X) as the original name of the flag supposes -- insofar re-introducing "NDAV" again as an "alias" for "NRMM" in reader.F might also be a(nother) possible measure ...

Regards,
Juergen

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Re: Wiki error: INCAR flag "NDAV" described in Wiki not anymore functional (now: "NRMM")

#2 Post by henrique_miranda » Thu Jul 08, 2021 9:18 am

Dear Juergen,

Thank you very much for the report.
I updated the wiki accordingly.
We will consider re-introducing NDAV in the INCAR on a future release of the code.

Kind regards,
Henrique Miranda

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