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fleur
fleur
Commits
a3c23c5d
Commit
a3c23c5d
authored
Jan 23, 2020
by
Matthias Redies
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make sure eig_irr is not allocated twice
parent
1dec518d
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hybrid/hf_setup.F90
hybrid/hf_setup.F90
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hybrid/hf_setup.F90
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a3c23c5d
...
...
@@ -67,12 +67,14 @@ CONTAINS
allocate
(
zmat
(
kpts
%
nkptf
),
stat
=
ok
)
IF
(
ok
/
=
0
)
call
judft_error
(
'eigen_hf: failure allocation z_c'
)
allocate
(
eig_irr
(
input
%
neig
,
kpts
%
nkpt
),
stat
=
ok
)
if
(
.not.
allocated
(
eig_irr
))
allocate
(
eig_irr
(
input
%
neig
,
kpts
%
nkpt
),
stat
=
ok
)
IF
(
ok
/
=
0
)
call
judft_error
(
'eigen_hf: failure allocation eig_irr'
)
eig_irr
=
0
if
(
allocated
(
hybdat
%
kveclo_eig
))
deallocate
(
hybdat
%
kveclo_eig
)
allocate
(
hybdat
%
kveclo_eig
(
atoms
%
nlotot
,
kpts
%
nkpt
),
stat
=
ok
)
IF
(
ok
/
=
0
)
call
judft_error
(
'eigen_hf: failure allocation hybdat%kveclo_eig'
)
eig_irr
=
0
hybdat
%
kveclo_eig
=
0
INQUIRE
(
file
=
"z"
,
exist
=
l_exist
)
...
...
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