Commit ec276da2 authored by Daniel Wortmann's avatar Daniel Wortmann

Added pbe0 to list of xc-potentials

parent 3f896075
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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