This program calculates the fege model exchange potential for use as
a local approximatin to the exact exchange potential.
The free-electron gas exchange (fege) potential is based on the formulation
of S. Hara, [J. Phys. Soc. Japan 22, 710 (1967)] and is an energy dependent local
approximation to the exchange interaction.
Input data records
iuang, iugrd, iuanrd, iuden, iufege
nengv, (engv(i), i = 1, nengv)
Definition of the input variables
- Input unit with angular grid information
- Input unit with radial grid information
- Input unit with information about l cutoff regions
- Input unit with electron density
- Output unit with fege exchange potential
- Offset energy (in atomic units) used to compute the fege exchange potential.
This is usually taken to be the ionization potential of the molecule.
- Number of energies to read in and compute
- Scattering electron kinetic energy in eV