Commit ee9e202c authored by Gregor Michalicek's avatar Gregor Michalicek

Remove rep_c array from hybrid/hsfock.F90, hybrid/symm_hf.F90

...it is not needed anywhere!
parent 10a7d4db
......@@ -112,7 +112,6 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s
TYPE(t_mat) :: olap,trafo,invtrafo,ex,tmp,v_x,z
COMPLEX :: exch(dimension%neigd,dimension%neigd)
COMPLEX,ALLOCATABLE :: carr(:)
COMPLEX,ALLOCATABLE :: rep_c(:,:,:,:,:)
CALL timestart("total time hsfock")
......@@ -156,11 +155,8 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s
CALL timestart("symm_hf")
CALL symm_hf_init(sym,kpts,nk,irank2,nsymop,rrot,psym)
ALLOCATE(rep_c(-hybdat%lmaxcd:hybdat%lmaxcd,-hybdat%lmaxcd:hybdat%lmaxcd,0:hybdat%lmaxcd,nsymop,atoms%nat), stat=ok)
IF(ok.NE.0) STOP 'hsfock: failure allocation rep_c'
CALL symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,lapw,jsp,mpi,irank2,&
rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,symop,degenerat,pointer_EIBZ,maxndb,nddb,nsest,indx_sest,rep_c)
rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,symop,degenerat,pointer_EIBZ,maxndb,nddb,nsest,indx_sest)
CALL timestop("symm_hf")
! remove weights(wtkpt) in w_iks
......@@ -178,7 +174,6 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s
CALL exchange_valence_hf(nk,kpts,nkpt_EIBZ, sym,atoms,hybrid,cell,dimension,input,jsp,hybdat,mnobd,lapw,&
eig_irr,results,parent,pointer_EIBZ,n_q,wl_iks,it,xcpot,noco,nsest,indx_sest,&
mpi,irank2,isize2,comm,ex)
DEALLOCATE (rep_c)
CALL timestop("valence exchange calculation")
WRITE(1224,'(a,i7)') 'kpoint: ', nk
......
......@@ -72,7 +72,7 @@ END SUBROUTINE symm_hf_init
SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
lapw,jsp,mpi,irank2,rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,&
symop,degenerat,pointer_EIBZ,maxndb,nddb,nsest,indx_sest,rep_c)
symop,degenerat,pointer_EIBZ,maxndb,nddb,nsest,indx_sest)
USE m_constants
USE m_types
......@@ -112,8 +112,6 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
INTEGER,ALLOCATABLE,INTENT(OUT) :: n_q(:)
REAL,INTENT(IN) :: eig_irr(dimension%neigd,kpts%nkpt)
COMPLEX,INTENT(INOUT) :: rep_c(-hybdat%lmaxcd:hybdat%lmaxcd,-hybdat%lmaxcd:hybdat%lmaxcd,&
0:hybdat%lmaxcd,nsymop,atoms%nat)
! - local scalars -
INTEGER :: ikpt,ikpt1,iop,isym,iisym,m
......@@ -548,9 +546,6 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
cdum = exp(-2*pi*img*dot_product(rotkpt,sym%tau(:,iisym)))* &
& exp( 2*pi*img*dot_product(g,atoms%taual(:,ratom)))
rep_c(:,:,:,iop,iatom) = &
& hybrid%d_wgn2(-hybdat%lmaxcd:hybdat%lmaxcd,-hybdat%lmaxcd:hybdat%lmaxcd,0:hybdat%lmaxcd,isym) * cdum
END DO
END DO
iatom0 = iatom0 + atoms%neq(itype)
......
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