[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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