Meaning of DAV and RMM in the OSZICAR file

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kazeej
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Meaning of DAV and RMM in the OSZICAR file

#1 Post by kazeej » Thu Jul 28, 2022 5:50 am

If the iteration scheme in the OSZICAR file changes from DAV to RMM, deos that mean the calculation could be wrong?
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henrique_miranda
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Re: Meaning of DAV and RMM in the OSZICAR file

#2 Post by henrique_miranda » Thu Jul 28, 2022 9:07 am

No.
When you select ALGO=Fast the first few iterations are done using the Davidson algorithm DAV and the rest with the RMM-DIIS RMM algorithm.

Have a look here:
wiki/index.php/ALGO
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