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fleur
fleur
Commits
f7530b1d
Commit
f7530b1d
authored
Nov 29, 2018
by
Daniel Wortmann
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Deleted debugging output from last commit
parent
9306e171
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2
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4 deletions
+1
-4
eigen/slomat.F90
eigen/slomat.F90
+1
-1
types/types_lapw.F90
types/types_lapw.F90
+0
-3
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eigen/slomat.F90
View file @
f7530b1d
...
...
@@ -55,7 +55,7 @@ CONTAINS
COMPLEX
,
ALLOCATABLE
::
cph
(:,:)
ALLOCATE
(
cph
(
MAXVAL
(
lapw
%
nv
),
2
))
DO
i
=
MIN
(
jintsp
,
iintsp
),
MAX
(
jintsp
,
iintsp
)
CALL
lapw
%
phase_factors
(
i
,
atoms
%
taual
(:,
na
),
-1
*
noco
%
qss
,
cph
(:,
i
))
CALL
lapw
%
phase_factors
(
i
,
atoms
%
taual
(:,
na
),
noco
%
qss
,
cph
(:,
i
))
ENDDO
IF
((
atoms
%
invsat
(
na
)
.EQ.
0
)
.OR.
(
atoms
%
invsat
(
na
)
.EQ.
1
))
THEN
...
...
types/types_lapw.F90
View file @
f7530b1d
...
...
@@ -216,12 +216,9 @@ CONTAINS
(
mk3
+
gvec
(
3
,
k
))
*
(
2
*
mk1
+1
)
*
(
2
*
mk2
+1
)
ENDDO
CALL
sort
(
index3
(:
lapw
%
nv
(
ispin
)),
rkq
,
rkqq
)
PRINT
*
,
"L:"
,
SIZE
(
index3
),
lapw
%
nv
(
ispin
)
PRINT
*
,
"L:"
,
MINVAL
(
index3
),
MAXVAL
(
index3
),
SUM
(
index3
)
DO
n
=
1
,
lapw
%
nv
(
ispin
)
lapw
%
gvec
(:,
n
,
ispin
)
=
gvec
(:,
index3
(
n
))
lapw
%
rk
(
n
,
ispin
)
=
rk
(
index3
(
n
))
PRINT
*
,
"RK:"
,
n
,
lapw
%
rk
(
n
,
ispin
)
ENDDO
!---> determine pairs of K-vectors, where K_z = K'_-z to use
!---> z-reflection
...
...
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