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KGEN (generates k mesh)

This program generates the k-mesh in the irreducible wedge of the Brillouin zone (IBZ) on a special point grid, which can be used in a modified tetrahedron integration scheme (Blöchl et al 1994).

KGEN needs as interactive input the total number of k-points in the BZ and, if inversion symmetry is not present, asks whether or not it should include this symmetry when generating the k-mesh. One should usually add inversion here. If symmetry permits, it further asks whether or not the k-mesh should be shifted away from high symmetry directions. The file case.klist is used in lapw1 and case.kgen is used in tetra and lapw2, if the EF switch is set to TETRA, i.e. the tetrahedron method for the k-space integration is used. For the format of the case.klist see page node97.html.



 


2000-04-11