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fleur
fleur
Commits
bf14c31a
Commit
bf14c31a
authored
Jun 27, 2018
by
S.Rost
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error corrected with wrong declaration of logical---output
parent
5289694a
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init/unfoldBandKPTS.f90
init/unfoldBandKPTS.f90
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init/unfoldBandKPTS.f90
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bf14c31a
...
...
@@ -91,10 +91,6 @@ m_loop: DO m1= -banddos%s_cell_x,banddos%s_cell_x
list
(
7
,
i
)
=-
m1
list
(
8
,
i
)
=-
m2
list
(
9
,
i
)
=-
m3
write
(
*
,
'(a,f15.8,f15.8,f15.8,6l,3i)'
)
'representation found for the following kpoint:'
,
list
(
1
,
i
),
list
(
2
,
i
),
list
(
3
,
i
),(
dot_product
(
pc_kpoint_c
(:),&
&
cell
%
bmat
(:,
1
))
>=
0
),(
dot_product
(
pc_kpoint_c
(:),
cell
%
bmat
(:,
1
))
<=
dot_product
(
cell
%
bmat
(:,
1
),
cell
%
bmat
(:,
1
))
)
&
&
,
(
dot_product
(
pc_kpoint_c
(:),
cell
%
bmat
(:,
2
))
>=
0
),(
dot_product
(
pc_kpoint_c
(:),
cell
%
bmat
(:,
2
))
<=
dot_product
(
cell
%
bmat
(:,
2
),
cell
%
bmat
(:,
2
)))
&
&
,(
dot_product
(
pc_kpoint_c
(:),
cell
%
bmat
(:,
3
))
>=
0
),(
dot_product
(
pc_kpoint_c
(:),
cell
%
bmat
(:,
3
))
<=
dot_product
(
cell
%
bmat
(:,
3
),
cell
%
bmat
(:,
3
))),
-
m1
,
-
m2
,
-
m3
representation_found
=
.true.
END
IF
IF
(
representation_found
)
EXIT
m_loop
...
...
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