CUTOFF_MU

From VASP Wiki

CUTOFF_MU = [real] 

Default: CUTOFF_MU = 0.8 * Fermi level of a system with NUM_WANN orbitals occupied

Description: CUTOFF_MU specifies the cutoff energy in eV for the function specified by CUTOFF_MU.


The value of CUTOFF_MU corresponds to the cutoff energy of the cutoff function to be used to obtain Wannier functions with the one-shot method. The of meaning depends on the CUTOFF_TYPE tag.

The default value is computed by first determining the Fermi level of the system if it had NUM_WANN orbitals occupied and multiplying by 0.8. This gives reasonable freedom to determine the unitary transformation from Bloch states to Wannier functions.

Tip: Careful tuning of this parameter is required to obtain a good Wannierization.

Related tags and articles

CUTOFF_TYPE, CUTOFF_SIGMA, LSCDM, LOCPROJ

Examples that use this tag