From 00e7f072fd97f28639686f35ca2fa51fe2e72136 Mon Sep 17 00:00:00 2001 From: Gregor Michalicek Date: Mon, 10 Dec 2018 18:28:30 +0100 Subject: [PATCH] Remove more variables from hybrid/hsfock.F90 The variables removed are only needed inside hybrid/symm_hf.F90. --- hybrid/hsfock.F90 | 5 ++--- hybrid/symm_hf.F90 | 4 ++-- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/hybrid/hsfock.F90 b/hybrid/hsfock.F90 index de108441..f1775ce9 100644 --- a/hybrid/hsfock.F90 +++ b/hybrid/hsfock.F90 @@ -89,8 +89,7 @@ SUBROUTINE hsfock(nk,atoms,hybrid,lapw,dimension,kpts,jsp,input,hybdat,eig_irr,s INTEGER :: ikpt,ikpt0 INTEGER :: irec INTEGER :: irecl_olap,irecl_z,irecl_vx - INTEGER :: maxndb, nbasfcn - INTEGER :: nddb + INTEGER :: nbasfcn INTEGER :: nsymop INTEGER :: nkpt_EIBZ INTEGER :: ncstd @@ -155,7 +154,7 @@ 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,pointer_EIBZ,maxndb,nddb,nsest,indx_sest) + rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,pointer_EIBZ,nsest,indx_sest) CALL timestop("symm_hf") ! remove weights(wtkpt) in w_iks diff --git a/hybrid/symm_hf.F90 b/hybrid/symm_hf.F90 index a26b807c..5700fb66 100644 --- a/hybrid/symm_hf.F90 +++ b/hybrid/symm_hf.F90 @@ -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,& - pointer_EIBZ,maxndb,nddb,nsest,indx_sest) + pointer_EIBZ,nsest,indx_sest) USE m_constants USE m_types @@ -99,7 +99,6 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,& INTEGER,INTENT(IN) :: irank2 INTEGER,INTENT(OUT) :: nkpt_EIBZ INTEGER,INTENT(IN) :: nsymop - INTEGER,INTENT(OUT) :: maxndb,nddb ! - arrays - INTEGER,INTENT(IN) :: rrot(3,3,sym%nsym) @@ -122,6 +121,7 @@ SUBROUTINE symm_hf(kpts,nk,sym,dimension,hybdat,eig_irr,atoms,hybrid,cell,& INTEGER :: n1,n2,nn INTEGER :: ndb,ndb1,ndb2 INTEGER :: nrkpt + INTEGER :: maxndb, nddb REAL :: tolerance,pi -- GitLab