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
52
Issues
52
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
b5d1a4f9
Commit
b5d1a4f9
authored
Jan 21, 2019
by
Uliana Alekseeva
Browse files
Options
Browse Files
Download
Plain Diff
Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop
parents
e643bada
4dc5f6fd
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
with
3 additions
and
3 deletions
+3
-3
eigen/hsmt_ab.F90
eigen/hsmt_ab.F90
+1
-1
eigen/tlmplm.F90
eigen/tlmplm.F90
+2
-2
No files found.
eigen/hsmt_ab.F90
View file @
b5d1a4f9
...
...
@@ -227,7 +227,7 @@ CONTAINS
!$OMP& SHARED(lapw,gkrot,lmax,c_ph,iintsp,ab,fj,gj,abclo,cell,atoms) &
!$OMP& SHARED(alo1,blo1,clo1,ab_size,na,n) &
!$OMP& PRIVATE(k,vmult,ylm,l,ll1,m,lm,term,invsfct,lo,nkvec)
DO
k
=
1
,
lapw
%
nv
(
1
)
DO
k
=
1
,
lapw
%
nv
(
iintsp
)
!--> generate spherical harmonics
vmult
(:)
=
gkrot
(:,
k
)
CALL
ylm4
(
lmax
,
vmult
,
ylm
)
...
...
eigen/tlmplm.F90
View file @
b5d1a4f9
...
...
@@ -69,7 +69,7 @@ CONTAINS
!---> loop over non-spherical components of the potential: must
!---> satisfy the triangular conditions and that l'+l+lamda even
!---> (conditions from the gaunt coefficient)
DO
lh
=
1
,
nh
DO
lh
=
MERGE
(
1
,
0
,
jspin
<
3
)
,
nh
lamda
=
sphhar
%
llh
(
lh
,
nsym
)
lmin
=
lp
-
l
lmx
=
lp
+
l
...
...
@@ -117,7 +117,7 @@ CONTAINS
lmp
=
lp
*
(
lp
+1
)
+
mp
lmpl
=
(
lmp
*
(
lmp
+1
))/
2
!---> loop over lattice harmonics
DO
lh
=
1
,
nh
DO
lh
=
MERGE
(
1
,
0
,
jspin
<
3
)
,
nh
lamda
=
sphhar
%
llh
(
lh
,
nsym
)
lmin0
=
abs
(
lp
-
lamda
)
IF
(
lmin0
.GT.
lp
)
CYCLE
...
...
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