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fleur
fleur
Commits
936913d6
Commit
936913d6
authored
Oct 19, 2018
by
Matthias Redies
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cleanup
parent
d7380394
Changes
2
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2 changed files
with
1 addition
and
4 deletions
+1
-4
io/r_inpXML.F90
io/r_inpXML.F90
+0
-2
xc-pot/metagga.F90
xc-pot/metagga.F90
+1
-2
No files found.
io/r_inpXML.F90
View file @
936913d6
...
...
@@ -1152,10 +1152,8 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
IF
(
xmlGetNumberOfNodes
(
TRIM
(
xPathB
)
//
'/@etot_correlation'
)
==
1
)
THEN
valueString
=
TRIM
(
ADJUSTL
(
xmlGetAttributeValue
(
TRIM
(
xPathB
)
//
'/@etot_correlation'
)))
exc_id_c
=
xc_f03_functional_get_number
(
TRIM
(
valueString
))
write
(
*
,
*
)
"read exc_id_c"
ELSE
exc_id_c
=
vxc_id_c
write
(
*
,
*
)
"ignore exc_id_c"
ENDIF
#else
CALL
judft_error
(
"To use libxc functionals you have to compile with libXC support"
)
...
...
xc-pot/metagga.F90
View file @
936913d6
...
...
@@ -33,8 +33,7 @@ CONTAINS
if
(
any
(
kinEnergyDen_RS
<
eps
))
then
write
(
6
,
*
)
" lowest kinetic energy density cutoff = "
,
minval
(
kinEnergyDen_RS
)
kinEnergyDen_RS
=
max
(
kinEnergyDen_RS
,
eps
)
write
(
6
,
*
)
" afterwards = "
,
minval
(
kinEnergyDen_RS
)
endif
endif
#else
USE
m_juDFT_stop
...
...
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