Commit 70c5f07a authored by Matthias Redies's avatar Matthias Redies

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents 241a436c 2c1b4a0a
Subproject commit ca6f7114b9fffe0964ca9e8d24e09ef15b300316
Subproject commit 3cb2231abf1d47fbd8b3e21c8478e9f26a73ce5f
......@@ -7,7 +7,7 @@ then
tar xzf libxml2-${libxml2_version}.tar.gz
cd libxml2-${libxml2_version}
#Compile&test (This will take a while)
./configure --disable-shared
./configure --disable-shared --without-python
make
else
cd libxml2-${libxml2_version}
......
......@@ -2243,12 +2243,12 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
ALLOCATE(t_xcpot_inbuild::xcpot)
ENDIF
xcpot%kinED%set = .FALSE.
SELECT TYPE(xcpot)
TYPE IS(t_xcpot_inbuild)
CALL xcpot%init(namex(1:4),relcor,atoms%ntype)
TYPE IS(t_xcpot_libxc)
CALL xcpot%init(jspins,vxc_id_x,vxc_id_c,exc_id_x,exc_id_c)
END SELECT
CALL set_xcpot_usage(xcpot)
......
......@@ -144,6 +144,10 @@
input%scaleA1 = 1.0
input%scaleA2 = 1.0
input%scaleC = 1.0
input%forcealpha = 1.0
input%forcemix = 0
input%epsdisp = 0.00001
input%epsforce = 0.00001
kpts%ntet = 1
kpts%numSpecialPoints = 1
......
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