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[Licence| Download | New Version Template] adqt_v1_0.tar.gz(22 Kbytes)
Manuscript Title: The condensation energy of the homogeneous superconducting gas.
Authors: J.W. Krogh, M. Wierzbowska
Program title: CHS
Catalogue identifier: ADQT_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 150(2003)53
Programming language: Fortran.
Operating system: Linux, IRIX, AIX.
Keywords: DFT, LDA, RPA, Condensation energy, Superconductivity, Correlation energy, Homogeneous gas, Solid state physics, Liquid.
Classification: 7.3.

Nature of problem:
Calculation of the superconducting condensation energy of the homogeneous superconducting gas, the key ingredient of the local density approximation for superconductors [1].

Solution method:
The program calculates the exchange (6D), correlation RPA (7D) and anomalous Hartree (6D) energy integrals numerically on the optimal grids.

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.

Running time:
Typically a few days depending on a workstation and number of processors used.

References:
[1] S. Kurth, M. Marques, M. Luders, and E.K.U. Gross, Phys. Rev. Lett., 83, 2628 (1999).