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fleur
fleur
Commits
5d0533ec
Commit
5d0533ec
authored
Jan 30, 2019
by
Daniel Wortmann
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Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop
parents
ef0bd86c
5a9110fc
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1
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eigen_soc/ssomat.F90
View file @
5d0533ec
...
@@ -272,6 +272,7 @@ CONTAINS
...
@@ -272,6 +272,7 @@ CONTAINS
DO
m1
=
-
l
,
l
DO
m1
=
-
l
,
l
DO
jsloc2
=
1
,
2
DO
jsloc2
=
1
,
2
sc
(
jsloc2
,
m1
,
ilo
)
=
CMPLX
(
0.
,
0.
)
sc
(
jsloc2
,
m1
,
ilo
)
=
CMPLX
(
0.
,
0.
)
IF
(
l
==
0
)
CYCLE
DO
m2
=
-
l
,
l
DO
m2
=
-
l
,
l
sc
(
jsloc2
,
m1
,
ilo
)
=
sc
(
jsloc2
,
m1
,
ilo
)
+
&
sc
(
jsloc2
,
m1
,
ilo
)
=
sc
(
jsloc2
,
m1
,
ilo
)
+
&
CONJG
(
ccof2
(
m2
,
band2
,
ilo
,
na
,
jsloc2
,
js2
))&
CONJG
(
ccof2
(
m2
,
band2
,
ilo
,
na
,
jsloc2
,
js2
))&
...
@@ -344,6 +345,7 @@ CONTAINS
...
@@ -344,6 +345,7 @@ CONTAINS
DO
ilo
=
1
,
atoms
%
nlo
(
n
)
! LO-part
DO
ilo
=
1
,
atoms
%
nlo
(
n
)
! LO-part
l
=
atoms
%
llo
(
ilo
,
n
)
l
=
atoms
%
llo
(
ilo
,
n
)
IF
(
l
==
0
)
CYCLE
DO
m1
=
-
l
,
l
DO
m1
=
-
l
,
l
lm1
=
l
*
(
l
+1
)
+
m1
lm1
=
l
*
(
l
+1
)
+
m1
...
...
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