All requests for technical support from the VASP group must be addressed to:


From Vaspwiki
Jump to: navigation, search

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 ) . The first loop is done using the tetrahedron method with Blöchl corrections.

Related Tags and Sections


Examples that use this tag