Programs in Physics & Physical Chemistry
|[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.|
Nature of problem:
Calculation of the superconducting condensation energy of the homogeneous superconducting gas, the key ingredient of the local density approximation for superconductors .
The program calculates the exchange (6D), correlation RPA (7D) and anomalous Hartree (6D) energy integrals numerically on the optimal grids.
While calculating the correlation part of the energy, an automatic restart can be done.
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.
Typically a few days depending on a workstation and number of processors used.
|||S. Kurth, M. Marques, M. Luders, and E.K.U. Gross, Phys. Rev. Lett., 83, 2628 (1999).|
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