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kkr
jukkr
Commits
e279eb21
Commit
e279eb21
authored
4 years ago
by
Rudolf Zeller
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Removed inconsistency in the initial definition of the B parameter
parent
59e951e7
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source/KKRnano/source/datastructures/RadialMeshData_mod.F90
+5
-4
5 additions, 4 deletions
source/KKRnano/source/datastructures/RadialMeshData_mod.F90
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5 additions
and
4 deletions
source/KKRnano/source/datastructures/RadialMeshData_mod.F90
+
5
−
4
View file @
e279eb21
...
...
@@ -160,17 +160,18 @@ module RadialMeshData_mod
double precision
,
intent
(
in
)
::
radius_mt
double precision
,
intent
(
in
)
::
a_log
double precision
,
intent
(
in
)
::
b_log
double precision
::
b_log_local
!double precision, parameter :: A = 0.025d0
integer
::
ii
self
%
A
=
a_log
self
%
B
=
b_log
!
self%B =
radius_mt / (exp(a_log * (imt - 1)) - 1.d0)
b_log_local
=
radius_mt
/
(
exp
(
a_log
*
(
imt
-
1
))
-
1.d0
)
self
%
B
=
b_log_local
do
ii
=
1
,
imt
self
%
r
(
ii
)
=
b_log
*
(
exp
(
a_log
*
(
ii
-
1
))
-
1.d0
)
self
%
drdi
(
ii
)
=
a_log
*
b_log
*
exp
(
a_log
*
(
ii
-
1
))
self
%
r
(
ii
)
=
b_log
_local
*
(
exp
(
a_log
*
(
ii
-
1
))
-
1.d0
)
self
%
drdi
(
ii
)
=
a_log
*
b_log
_local
*
exp
(
a_log
*
(
ii
-
1
))
enddo
! ii
self
%
rmt
=
radius_MT
...
...
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Philipp Rüssmann
@ruess
mentioned in commit
cbb5645d
·
2 years ago
mentioned in commit
cbb5645d
mentioned in commit cbb5645d48afdad6e29c449ffb1dc770c3ecb55f
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