All requests for technical support from the VASP group must be addressed to: vasp.materialphysik@univie.ac.at

# SMEARINGS

SMEARINGS = [integer array]
Default: SMEARINGS = not set

Description: SMEARINGS defines the smearing parameters for ISMEAR=-3 in the calculation of the partial occupancies.

ISMEAR=-3 performs a loop over smearing-parameters supplied in the INCAR file. In this case a tag

SMEARINGS = ismear1 sigma1  ismear2 sigma2  ...


must be present in the INCAR file, supplying different smearing parameters. IBRION has to be set to -1 and NSW to the number of supplied values ismear${\displaystyle i}$ ) . The first loop is done using the tetrahedron method with Blöchl corrections.