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fleur
fleur
Commits
ec276da2
Commit
ec276da2
authored
Sep 20, 2017
by
Daniel Wortmann
Browse files
Added pbe0 to list of xc-potentials
parent
3f896075
Changes
1
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Inline
Side-by-side
global/types_xcpot.F90
View file @
ec276da2
MODULE
m_types_xcpot
IMPLICIT
NONE
PRIVATE
CHARACTER
(
len
=
4
),
PARAMETER
::
xc_names
(
19
)
=
[&
CHARACTER
(
len
=
4
),
PARAMETER
::
xc_names
(
20
)
=
[&
'l91 '
,
'x-a '
,
'wign'
,
'mjw '
,
'hl '
,
'bh '
,
'vwn '
,
'pz '
,
&
'pw91'
,
'pbe '
,
'rpbe'
,
'Rpbe'
,
'wc '
,
'PBEs'
,
&
'hse '
,
'vhse'
,
'lhse'
,
'exx '
,
'hf '
]
'pbe0'
,
'hse '
,
'vhse'
,
'lhse'
,
'exx '
,
'hf '
]
LOGICAL
,
PARAMETER
::
priv_gga
(
19
)
=
[&
LOGICAL
,
PARAMETER
::
priv_gga
(
20
)
=
[&
.TRUE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,&
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,&
.TRUE.
,
.TRUE.
,
.TRUE.
,
.FALSE.
,
.FALSE.
]
.TRUE.
,
.TRUE.
,
.TRUE.
,
.
TRUE.
,
.
FALSE.
,
.FALSE.
]
LOGICAL
,
PARAMETER
::
priv_hybrid
(
19
)
=
[&
LOGICAL
,
PARAMETER
::
priv_hybrid
(
20
)
=
[&
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,&
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,
.FALSE.
,&
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
]
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
,
.TRUE.
]
REAL
,
PARAMETER
::
amix_pbe0
=
0.25
REAL
,
PARAMETER
::
amix_hse
=
0.25
...
...
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