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Manuscript Title: Computer generated subgroup-symmetry adapted irreducible
representations and CG coefficients of space groups by the
eigenfunction method. | ||

Authors: J.L. Ping, Q.R. Zheng, B.Q. Chen, J.Q. Chen | ||

Program title: IR, CGC | ||

Catalogue identifier: ABHE_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 52(1989)355 | ||

Programming language: Fortran. | ||

Computer: IBM PC, PC/XT, PC/AT. | ||

Operating system: MS-DOS (PC-DOS) VERSION 2.0 OR HIGHER. | ||

RAM: 256K words | ||

Word size: 16 | ||

Peripherals: disc. | ||

Keywords: Space group, Irrep, Cg-coefficient, General purpose, Algebras. | ||

Classification: 4.2. | ||

Nature of problem:The program computes the characters, subgroup-symmetry adapted projective (both single- and double-valued) irreducible representations (irreps) of the little co-group and the ground representations, the wave-vector selection rules, the Clebsch-Gordan (CG) series and CG coefficients in 230 space groups. The program can also be used for computing the characters, irreps and CG coefficients of the 32 point groups. | ||

Solution method:The character, single or double-valued irreducible matrix elements and CG coefficients of space group are obtained by solving the eigenequation of the CSGO-I, -III, and -II of G in the class space, group space and Kronecker product space, respectively. The irreps and CG coefficients are subgroup-symmetry adapted. The subgroups are either specified by user or computer. | ||

Restrictions:The program is designed for any space group, for any value of k in the first Brillouin zone. | ||

Unusual features:Every thing can be computed ab initia without the input of any complicated results. The tables for characters, irreducible represen- tations and CG coefficients are printed out in an easily recognizable form borrowed from Neto's program but with the improvement that exact values (p/q)**1/2 exp(i n/m) instead of decimals are given for the entries. | ||

Running time:Typical case of moderate complexity require several minutes. |

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