Abstract

The theory of the irreducible representations of space groups and the symmetry projection of crystal wave functions can be written in a more concise form, when the irreducible representations of arbitrary finite groups can be calculated. Two computer programs have been written. Starting with a minimum of input they produce crystal space orbitals and plane waves respectively, symmetry adapted to the irreducible representations of any one of the 230 space groups. The irreducible representations are generated by the program itself.

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