Meaning of DAV and RMM in the OSZICAR file
Posted: 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?
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