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fleur
fleur
Commits
4738606f
Commit
4738606f
authored
Jun 15, 2018
by
Gregor Michalicek
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Plain Diff
Slightly beautify hybrid/gen_wavf.F90
parent
4943cb36
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2
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215 additions
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-283
hybrid/gen_wavf.F90
hybrid/gen_wavf.F90
+212
-283
hybrid/hf_setup.F90
hybrid/hf_setup.F90
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hybrid/gen_wavf.F90
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4738606f
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hybrid/hf_setup.F90
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4738606f
...
...
@@ -150,6 +150,9 @@ SUBROUTINE hf_setup(hybrid,input,sym,kpts,DIMENSION,atoms,mpi,noco,cell,oneD,res
END
DO
IF
(
hybrid
%
nobd
(
nk
)
>
hybrid
%
nbands
(
nk
))
THEN
WRITE
(
*
,
*
)
'k-point: '
,
nk
WRITE
(
*
,
*
)
'number of bands: '
,
hybrid
%
nbands
(
nk
)
WRITE
(
*
,
*
)
'number of occupied bands: '
,
hybrid
%
nobd
(
nk
)
CALL
judft_warn
(
"More occupied bands than total no of bands!?"
)
hybrid
%
nbands
(
nk
)
=
hybrid
%
nobd
(
nk
)
END
IF
...
...
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