Skip to content
GitLab
Projects
Groups
Snippets
Help
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
fleur
Project overview
Project overview
Details
Activity
Releases
Repository
Repository
Files
Commits
Branches
Tags
Contributors
Graph
Compare
Issues
51
Issues
51
List
Boards
Labels
Service Desk
Milestones
Operations
Operations
Incidents
Packages & Registries
Packages & Registries
Container Registry
Analytics
Analytics
Repository
Value Stream
Wiki
Wiki
Members
Members
Collapse sidebar
Close sidebar
Activity
Graph
Create a new issue
Commits
Issue Boards
Open sidebar
fleur
fleur
Commits
ae673d10
Commit
ae673d10
authored
May 02, 2016
by
Gregor Michalicek
1
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
Corrected indexing for spin dimension of tuulo array
parent
59686e44
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
with
7 additions
and
7 deletions
+7
-7
eigen/tlmplm.F90
eigen/tlmplm.F90
+1
-1
eigen/tlo.f90
eigen/tlo.f90
+6
-6
No files found.
eigen/tlmplm.F90
View file @
ae673d10
...
...
@@ -244,7 +244,7 @@ MODULE m_tlmplm
!---> set up the t-matrices for the local orbitals,
!---> if there are any
IF
(
atoms
%
nlo
(
n
)
.GE.
1
)
THEN
CALL
tlo
(
atoms
,
sphhar
,
jspin
,
n
,
enpara
,
lh0
,
input
,
vr
(
1
,
0
,
n
),&
CALL
tlo
(
atoms
,
sphhar
,
jspin
,
jsp
,
n
,
enpara
,
lh0
,
input
,
vr
(
1
,
0
,
n
),&
flo
,
f
,
g
,
ud
,
uuilon
,
duilon
,
ulouilopn
,
td
)
ENDIF
...
...
eigen/tlo.f90
View file @
ae673d10
...
...
@@ -7,7 +7,7 @@ MODULE m_tlo
! p.kurz jul. 1996
!***********************************************************************
CONTAINS
SUBROUTINE
tlo
(
atoms
,
sphhar
,
jsp
,
ntyp
,
enpara
,
lh0
,
input
,
vr
,&
SUBROUTINE
tlo
(
atoms
,
sphhar
,
jspin
,
jsp
,
ntyp
,
enpara
,
lh0
,
input
,
vr
,&
flo
,
f
,
g
,
usdus
,
uuilon
,
duilon
,
ulouilopn
,
tlmplm
)
!
!*************** ABBREVIATIONS *****************************************
...
...
@@ -29,7 +29,7 @@ MODULE m_tlo
TYPE
(
t_enpara
),
INTENT
(
IN
)
::
enpara
! ..
! .. Scalar Arguments ..
INTEGER
,
INTENT
(
IN
)
::
jsp
,
ntyp
,
lh0
INTEGER
,
INTENT
(
IN
)
::
jsp
in
,
jsp
,
ntyp
,
lh0
! ..
! .. Array Arguments ..
REAL
,
INTENT
(
IN
)
::
vr
(
atoms
%
jmtd
,
0
:
sphhar
%
nlhd
)
...
...
@@ -173,9 +173,9 @@ MODULE m_tlo
DO
m
=
-
l
,
l
lm
=
l
*
(
l
+1
)
+
m
tlmplm
%
tuulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
=
tlmplm
%
tuulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
+
0.5
*
usdus
%
uulon
(
lo
,
ntyp
,
jsp
)
*
&
(
enpara
%
el0
(
l
,
ntyp
,
jsp
)
+
enpara
%
ello0
(
lo
,
ntyp
,
jsp
)
)
(
enpara
%
el0
(
l
,
ntyp
,
jsp
in
)
+
enpara
%
ello0
(
lo
,
ntyp
,
jspin
)
)
tlmplm
%
tdulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
=
tlmplm
%
tdulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
+
0.5
*
usdus
%
dulon
(
lo
,
ntyp
,
jsp
)
*
&
(
enpara
%
el0
(
l
,
ntyp
,
jsp
)
+
enpara
%
ello0
(
lo
,
ntyp
,
jsp
)
)
+
0.5
*
usdus
%
uulon
(
lo
,
ntyp
,
jsp
)
(
enpara
%
el0
(
l
,
ntyp
,
jsp
in
)
+
enpara
%
ello0
(
lo
,
ntyp
,
jspin
)
)
+
0.5
*
usdus
%
uulon
(
lo
,
ntyp
,
jsp
)
IF
(
atoms
%
ulo_der
(
lo
,
ntyp
)
.GE.
1
)
THEN
tlmplm
%
tuulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
=
tlmplm
%
tuulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
+
0.5
*
uuilon
(
lo
,
ntyp
)
tlmplm
%
tdulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
=
tlmplm
%
tdulo
(
lm
,
m
,
lo
+
mlo
,
jsp
)
+
0.5
*
duilon
(
lo
,
ntyp
)
...
...
@@ -193,8 +193,8 @@ MODULE m_tlo
DO
lo
=
atoms
%
lo1l
(
lp
,
ntyp
),
lop
loplo
=
((
lop
-1
)
*
lop
)/
2
+
lo
DO
m
=
-
lp
,
lp
tlmplm
%
tuloulo
(
m
,
m
,
loplo
+
mlolo
,
jsp
)
=
tlmplm
%
tuloulo
(
m
,
m
,
loplo
+
mlolo
,
jsp
)
+
0.5
*
(
enpara
%
ello0
(
lop
,
ntyp
,
jsp
)
+
&
enpara
%
ello0
(
lo
,
ntyp
,
jsp
))
*
usdus
%
uloulopn
(
lop
,
lo
,
ntyp
,
jsp
)
+
0.5
*
(
ulouilopn
(
lop
,
lo
,
ntyp
)
+
&
tlmplm
%
tuloulo
(
m
,
m
,
loplo
+
mlolo
,
jsp
)
=
tlmplm
%
tuloulo
(
m
,
m
,
loplo
+
mlolo
,
jsp
)
+
0.5
*
(
enpara
%
ello0
(
lop
,
ntyp
,
jsp
in
)
+
&
enpara
%
ello0
(
lo
,
ntyp
,
jsp
in
))
*
usdus
%
uloulopn
(
lop
,
lo
,
ntyp
,
jsp
)
+
0.5
*
(
ulouilopn
(
lop
,
lo
,
ntyp
)
+
&
ulouilopn
(
lo
,
lop
,
ntyp
))
END
DO
END
DO
...
...
Gregor Michalicek
@micha
mentioned in commit
8c793f90
·
May 04, 2016
mentioned in commit
8c793f90
mentioned in commit 8c793f9089284d9ffe9806951992b8a77ba363b1
Toggle commit list
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment