[Octopus-notify] svn commit: r2517 - in trunk: libxc/src by marques
octopus-notify at tddft.org
octopus-notify at tddft.org
Wed Oct 25 09:48:08 WEST 2006
Author: marques
Date: Wed Oct 25 09:48:02 2006
New Revision: 2517
Changeset: http://www.tddft.org/trac/octopus/changeset/2517
Modified:
trunk/libxc/src/lda.c
trunk/libxc/src/lda_funcs.c
trunk/testsuite/finite_systems_3d/11-sic.test
Log:
Slater's Xalpha functional was not working, so the test was failing.
The test testsuite/finite_systems_3d/11-sic.test seems a bit weird to
me. The functional used is Slater's Xalpha with alpha=2/3, which means
that it only uses exchange (it would be easier to put Cfunctional=none
;) Is this really the functional used in the reference (that I
corrected, BTW)?
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