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Making the calculations faster

Use the following lines in the INCAR file to improve the efficiency of VASP for large systems:

ALGO =  Fast   # RMM-DIIS algorithm for electrons 
LREAL = A      # evaluate projection operators in real space
NSIM = 4       # blocked algorithm update, four bands at a time
In additions you might try to set the MAXMIX tag.



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at