Commit 4f4f4799 authored by Gregor Michalicek's avatar Gregor Michalicek

Remove degenerat array from hybrid/hsfock.F90

This was only needed a long time ago when exchange_vccv was used and
not exchange_vccv1.
parent ee9e202c
......@@ -98,7 +98,6 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s
REAL :: a_ex
! local arrays
INTEGER :: degenerat(hybrid%ne_eig(nk))
INTEGER :: nsest(hybrid%nbands(nk)),indx_sest(hybrid%nbands(nk),hybrid%nbands(nk))
INTEGER :: rrot(3,3,sym%nsym)
INTEGER :: psym(sym%nsym) ! Note: psym is only filled up to index nsymop
......@@ -156,7 +155,7 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s
CALL symm_hf_init(sym,kpts,nk,irank2,nsymop,rrot,psym)
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)
rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,symop,pointer_EIBZ,maxndb,nddb,nsest,indx_sest)
CALL timestop("symm_hf")
! remove weights(wtkpt) in w_iks
......
......@@ -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)
symop,pointer_EIBZ,maxndb,nddb,nsest,indx_sest)
USE m_constants
USE m_types
......@@ -106,7 +106,6 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
INTEGER,INTENT(IN) :: psym(sym%nsym)
INTEGER,INTENT(OUT) :: parent(kpts%nkptf)
INTEGER,INTENT(OUT) :: symop(kpts%nkptf)
INTEGER,INTENT(INOUT) :: degenerat(hybrid%ne_eig(nk))
INTEGER,INTENT(OUT) :: nsest(hybrid%nbands(nk)), indx_sest(hybrid%nbands(nk),hybrid%nbands(nk))
INTEGER,ALLOCATABLE,INTENT(OUT) :: pointer_EIBZ(:)
INTEGER,ALLOCATABLE,INTENT(OUT) :: n_q(:)
......@@ -133,6 +132,7 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
! - local arrays -
INTEGER :: neqvkpt(kpts%nkptf)
INTEGER :: list(kpts%nkptf)
INTEGER :: degenerat(hybrid%ne_eig(nk))
INTEGER,ALLOCATABLE :: help(:)
REAL :: rotkpt(3),g(3)
......@@ -257,7 +257,7 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,&
degenerat = 1
IF ( irank2 == 0 ) THEN
WRITE(6,'(A,f10.8)') ' Tolerance for determining degenerate states=', tolerance
END IF
END IF
DO i=1,hybrid%nbands(nk)
DO j=i+1,hybrid%nbands(nk)
......
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