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Solid state programs

BNDASA: Calculates energy bands and evaluates the moments.

TETRA: Sets up the k-points and weights for k-space integration using the tetrahedron method.

SAMPLE: k-space integration by sampling.

MAD: Evaluates the Madelung potential and energy.

DENS: Calculates full charge density and the ELF.

RHONS: Makes a fit to the full charge density.

SYM: Generates all operations in a space group from a set of generators. This is used to determine the k-points in the irreducible part of the Brillouin zone, and to symmetrize the density matrix which is only calculated in the irreducible BZ.

O. Jepsen
Thu Oct 12 14:48:45 MESZ 2000