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fleur
fleur
Commits
cbb6c6c5
Commit
cbb6c6c5
authored
Jun 21, 2018
by
Daniel Wortmann
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Bug in vmatgen for vacuum potential fixed.
parent
7fc65bd0
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1
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vgen/vmatgen.f90
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vgen/vmatgen.f90
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cbb6c6c5
...
...
@@ -184,7 +184,7 @@ CONTAINS
! & %igf,odl%pgf,odi%nst2)
ELSE
CALL
fft2d
(
stars
,
vvacxy
(:,
imz
,
ivac
,
ipot
),
fftwork
,&
vTot
%
vacz
(
imz
,
ivac
,
ipot
),
vziw
,
vTot
%
vacxy
(
:,:
,
ivac
,
ipot
),
vacuum
%
nmzxyd
,
-1
)
vTot
%
vacz
(
imz
,
ivac
,
ipot
),
vziw
,
vTot
%
vacxy
(
imz
,
1
,
ivac
,
ipot
),
vacuum
%
nmzxyd
,
-1
)
END
IF
ENDDO
ENDDO
...
...
@@ -204,7 +204,7 @@ CONTAINS
! & %igf,odl%pgf,odi%nst2)
ELSE
CALL
fft2d
(
stars
,
vvacxy
(:,
imz
,
ivac
,
3
),
vvacxy
(:,
imz
,
ivac
,
4
),&
vTot
%
vacz
(
imz
,
ivac
,
3
),
vTot
%
vacz
(
imz
,
ivac
,
4
),
vTot
%
vacxy
(
:,:
,
ivac
,
3
),
vacuum
%
nmzxyd
,
-1
)
vTot
%
vacz
(
imz
,
ivac
,
3
),
vTot
%
vacz
(
imz
,
ivac
,
4
),
vTot
%
vacxy
(
imz
,
1
,
ivac
,
3
),
vacuum
%
nmzxyd
,
-1
)
END
IF
ENDDO
ENDDO
...
...
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