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Manuscript Title: Calculation of the auxiliary functions Fm(z).
Authors: L.F. Errea, L. Mendez, A. Riera
Program title: FRANKC
Catalogue identifier: ACFL_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 31(1984)47
Programming language: Fortran.
Computer: IBM 370.
Operating system: OS/VS1.
RAM: 3K words
Word size: 32
Keywords: Molecular physics, Function, Collisions, General purpose, Surface, Translation factors, Complex gaussian Orbitals, Diamagnetic Susceptibilities, Molecule-electron, Resonances, Complex self-consistent, Field method, Calculations in solids, Integral.
Classification: 4.7, 16.10.

Nature of problem:
Calculation of a set of auxiliary functions Fm(z) which appear in the analytical calculation of molecular integrals involving Gaussian type orbitals and generalised plane waves.

Solution method:
The complex z plane is divided into eight domains and optimized algorithms are used for each domain. For z in the lower half plane, the principle of reflection is used.

The maximum value of m in fm(z) is set to be 8. The relative error is less than 0.5*10**-6 provided that Re(z)>-30.

Running time:
For the test run on the IBM 370, 0.86 s.