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fleur
fleur
Commits
f80a5bd9
Commit
f80a5bd9
authored
May 18, 2018
by
Gregor Michalicek
1
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Bugfix for issue
#160
parent
4b13d020
Changes
1
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eigen_soc/hsohelp.F90
eigen_soc/hsohelp.F90
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eigen_soc/hsohelp.F90
View file @
f80a5bd9
...
...
@@ -64,10 +64,13 @@ CONTAINS
! some praparations to match array sizes
!
nv1
(
1
)
=
lapw
%
nv
(
1
)
;
nv1
(
DIMENSION
%
jspd
)
=
lapw
%
nv
(
1
)
ALLOCATE
(
g1
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
),
g2
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
),
g3
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
)
)
g1
(:,
1
)
=
lapw
%
k1
(:,
1
)
;
g1
(:,
DIMENSION
%
jspd
)
=
lapw
%
k1
(:,
1
)
g2
(:,
1
)
=
lapw
%
k2
(:,
1
)
;
g2
(:,
DIMENSION
%
jspd
)
=
lapw
%
k2
(:,
1
)
g3
(:,
1
)
=
lapw
%
k3
(:,
1
)
;
g3
(:,
DIMENSION
%
jspd
)
=
lapw
%
k3
(:,
1
)
ALLOCATE
(
g1
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
))
ALLOCATE
(
g2
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
))
ALLOCATE
(
g3
(
DIMENSION
%
nvd
,
DIMENSION
%
jspd
))
g1
=
0
;
g2
=
0
;
g3
=
0
g1
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
=
lapw
%
k1
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
;
g1
(:
SIZE
(
lapw
%
k1
,
1
),
DIMENSION
%
jspd
)
=
lapw
%
k1
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
g2
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
=
lapw
%
k2
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
;
g2
(:
SIZE
(
lapw
%
k1
,
1
),
DIMENSION
%
jspd
)
=
lapw
%
k2
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
g3
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
=
lapw
%
k3
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
;
g3
(:
SIZE
(
lapw
%
k1
,
1
),
DIMENSION
%
jspd
)
=
lapw
%
k3
(:
SIZE
(
lapw
%
k1
,
1
),
1
)
chelp
(:,:,:,:,
input
%
jspins
)
=
CMPLX
(
0.0
,
0.0
)
...
...
Gregor Michalicek
@micha
mentioned in issue
#160 (closed)
·
May 18, 2018
mentioned in issue
#160 (closed)
mentioned in issue #160
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