CUTOFF_MU
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 energy cutoff 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. |