LSIC-KKR-CPA

initial upload

Posted on 2006-10-06 by Martin Lueders

The LSIC-KKR-CPA project was integrated in CCPForge. An initial code release was uploaded.

Time	Activity Type	By
2013-May-16
18:23:28	Commit: Compilation scheme updated.	Pawel Buczek
18:11:27	Commit: Longitudinal kernel testing suite, compilation control.	Pawel Buczek
04:45:54	Commit: Phase shifts program is extended for 2D	Arthur Ernst
2013-May-15
22:52:09	Commit: Longitudinal kernel testing suite. Libxc documentation.	Pawel Buczek
18:11:06	Commit: - shortend some lines by line breaks, was causing problems with gfortran - removes unused variables in OpenMP parts	Markus Daene
02:55:04	Commit: infrastructure for Libxc added printouts for Exchange-Correlation potential corrected if GGA is used	Markus Daene
2013-May-11
23:58:46	Commit: Hutsepot1.5: upgrade LibXC to version 2.0.1 (not implemented in code yet!)	Markus Daene
2013-May-08
06:06:32	Commit: Longitudinal kernel testing suite.	Pawel Buczek
06:05:40	Commit: Documentation on Libxc from Octopus website.	Pawel Buczek
2013-May-07
12:11:51	Commit: Integration of libxc.	Pawel Buczek
2013-May-06
12:08:26	Commit: Utilities for testing against libxc. To be further developed.	Pawel Buczek
10:37:00	Commit: Updated documentation on longitudinal xc kernel.	Pawel Buczek
2013-May-05
20:43:30	Commit: Testing of the Coulomb part in progress.	Pawel Buczek
20:36:33	Commit: Experimental support for the paramagnetic calculations.	Pawel Buczek
2013-May-02
11:12:44	Commit: Debugging info printing switched off.	Pawel Buczek

Activity
Request to join project
Description
This program package is a KKR-CPA multiple-scattering code. The combination of the coherent potential approximation (CPA) and the local self-interaction correction (LSIC) allows the application to correlated disordered systems including disorder.
Project Admins
Martin Lueders
Trove Categorization
Development Status: 4 - Beta Intended Audience: Developers Operating System: Linux Topic: CCP9, Scientific/Engineering