Commit 5066aaff authored by Matthias Redies's avatar Matthias Redies

init_hybinp is never called (formerly init_hybrid)

parent 5f7cc66f
......@@ -213,48 +213,6 @@ CONTAINS
!new check mode will only run the init-part of FLEUR
IF (judft_was_argument("-check")) CALL judft_end("Check-mode done",mpi%irank)
CONTAINS
SUBROUTINE init_hybinp()
IF (xcpot%is_hybrid().OR.input%l_rdmft) THEN
IF (input%film.OR.oneD%odi%d1) THEN
CALL juDFT_error("2D film and 1D calculations not implemented for HF/EXX/PBE0/HSE", &
calledby ="fleur", hint="Use a supercell or a different functional")
END IF
! IF( ANY( atoms%l_geo ) )&
! & CALL juDFT_error("Forces not implemented for HF/PBE0/HSE ",&
! & calledby ="fleur")
!calculate whole Brilloun zone
!CALL gen_bz(kpts,sym)
CALL gen_map(atoms,sym,oneD,hybinp)
! calculate d_wgn
ALLOCATE (hybinp%d_wgn2(-atoms%lmaxd:atoms%lmaxd,-atoms%lmaxd:atoms%lmaxd,0:atoms%lmaxd,sym%nsym))
CALL d_wigner(sym%nop,sym%mrot,cell%bmat,atoms%lmaxd,hybinp%d_wgn2(:,:,1:,:sym%nop))
hybinp%d_wgn2(:,:,0,:) = 1
DO isym = sym%nop+1,sym%nsym
iisym = isym - sym%nop
DO l = 0,atoms%lmaxd
DO m2 = -l,l
DO m1 = -l,-1
cdum = hybinp%d_wgn2( m1,m2,l,iisym)
hybinp%d_wgn2( m1,m2,l,isym) = hybinp%d_wgn2(-m1,m2,l,iisym)*(-1)**m1
hybinp%d_wgn2(-m1,m2,l,isym) = cdum *(-1)**m1
END DO
hybinp%d_wgn2(0,m2,l,isym) = hybinp%d_wgn2(0,m2,l,iisym)
END DO
END DO
END DO
ELSE
hybinp%l_calhf = .FALSE.
ALLOCATE(hybinp%map(0,0),hybinp%tvec(0,0,0),hybinp%d_wgn2(0,0,0,0))
IF(input%l_rdmft) THEN
hybinp%l_calhf = .FALSE.
END IF
ENDIF
END SUBROUTINE init_hybinp
SUBROUTINE init_wannier()
! Initializations for Wannier functions (start)
IF (mpi%irank.EQ.0) THEN
......
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