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fleur
fleur
Commits
ea79d409
Commit
ea79d409
authored
Apr 29, 2016
by
Daniel Wortmann
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Bugfixes, wrong passing of variables
parent
6b2d091c
Changes
2
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2 changed files
with
3 additions
and
1 deletion
+3
-1
cdn/cdnval.F90
cdn/cdnval.F90
+1
-1
eigen/hsmt_nonsph.F90
eigen/hsmt_nonsph.F90
+2
-0
No files found.
cdn/cdnval.F90
View file @
ea79d409
...
...
@@ -392,7 +392,7 @@ CONTAINS
!
IF
(
atoms
%
nlo
(
n
)
>
0
)
THEN
DO
ispin
=
jsp_start
,
jsp_end
CALL
radflo
(
atoms
,
n
,
ispin
,
ello
(
1
,
1
,
ispin
),
vr
(:,
0
,
:,:
),
f
(
1
,
1
,
0
,
ispin
),&
CALL
radflo
(
atoms
,
n
,
ispin
,
ello
(
1
,
1
,
ispin
),
vr
(:,
0
,
n
,
ispin
),
f
(
1
,
1
,
0
,
ispin
),&
g
(
1
,
1
,
0
,
ispin
),
mpi
,
usdus
,
uuilon
,
duilon
,
ulouilopn
,
flo
(:,:,:,
ispin
))
ENDDO
END
IF
...
...
eigen/hsmt_nonsph.F90
View file @
ea79d409
...
...
@@ -94,6 +94,8 @@ CONTAINS
CALL
hsmt_spinor
(
isp
,
n
,
noco
,
input
,
chi
,
chi11
,
chi21
,
chi22
)
ENDIF
DO
nn
=
1
,
atoms
%
neq
(
n
)
a
=
0.0
b
=
0.0
na
=
SUM
(
atoms
%
neq
(:
n
-1
))
+
nn
IF
(
atoms
%
lnonsph
(
n
)
<
0
)
CYCLE
ntyploop
IF
((
atoms
%
invsat
(
na
)
==
0
)
.OR.
(
atoms
%
invsat
(
na
)
==
1
))
THEN
...
...
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