PROGRAM SUMMARY
Title of program:
CHS
Catalogue identifier:
ADQT
Ref. in CPC:
150(2003)53
Distribution format: tar gzip file
Operating system: Linux, IRIX, AIX
Number of lines in distributed program, including test data, etc:
3771
Keywords:
DFT, LDA, RPA, Condensation energy, Superconductivity,
Correlation energy, Homogeneous gas, Solid state physics, Liquid.
Programming language used: Fortran
Nature of physical problem:
Calculation of the superconducting condensation energy of the
homogeneous superconducting gas, the key ingredient of the local density
approximation for superconductors [1].
Method of solution:
The program calculates the exchange (6D), correlation RPA (7D) and
anomalous Hartree (6D) energy integrals numerically on the optimal
grids.
Typical running time:
Typically a few days depending on a workstation and number of processors
used.
Unusual features:
While calculating the correlation part of the energy, an automatic
restart can be done.
Additional comments:
The code was parallelized using MPI.
Any number of processors, which is modulo the number of points used in
the main loops, can be efficiently used.
References:
[1] S. Kurth, M. Marques, M. Luders, and E.K.U. Gross, Phys. Rev. Lett.,
83, 2628 (1999).