Commit 20bd0065 authored by Henning Janssen's avatar Henning Janssen

remove unused variables/arguments in greensf routines

parent 977908ae
......@@ -163,7 +163,7 @@ SUBROUTINE cdnval(eig_id, fmpi,kpts,jspin,noco,nococonv,input,banddos,cell,atoms
!Greens function always considers the empty states
IF(gfinp%n>0 .AND. PRESENT(greensfImagPart)) THEN
IF(greensfImagPart%l_calc) &
CALL greensfBZintCoeffs%init(gfinp,atoms,input,noco,jsp_start,jsp_end,&
CALL greensfBZintCoeffs%init(gfinp,atoms,noco,jsp_start,jsp_end,&
SIZE(cdnvalJob%k_list),SIZE(cdnvalJob%ev_list))
ENDIF
......
......@@ -17,7 +17,7 @@ MODULE m_excSplitting
TYPE(t_greensfImagPart), INTENT(IN) :: greensfImagPart
REAL, INTENT(IN) :: ef
INTEGER :: i_gf,i_elem,indUnique,ispin,kkcut,m,l,lp,atomType,atomTypep,ie
INTEGER :: i_gf,i_elem,indUnique,ispin,m,l,lp,atomType,atomTypep
LOGICAL :: l_sphavg
REAL :: excSplit,del
REAL, ALLOCATABLE :: eMesh(:), imag(:)
......
......@@ -27,11 +27,10 @@ MODULE m_greensfCalcRealPart
CONTAINS
SUBROUTINE greensfCalcRealPart(atoms,gfinp,input,sym,noco,usdus,denCoeffsOffDiag,fmpi,ef,greensfImagPart,g)
SUBROUTINE greensfCalcRealPart(atoms,gfinp,input,noco,usdus,denCoeffsOffDiag,fmpi,ef,greensfImagPart,g)
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_gfinp), INTENT(IN) :: gfinp
TYPE(t_sym), INTENT(IN) :: sym
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_usdus), INTENT(IN) :: usdus
TYPE(t_denCoeffsOffDiag), INTENT(IN) :: denCoeffsOffDiag
......@@ -41,13 +40,13 @@ MODULE m_greensfCalcRealPart
TYPE(t_greensfImagPart), INTENT(INOUT) :: greensfImagPart
TYPE(t_greensf), INTENT(INOUT) :: g(:)
INTEGER :: i_gf,i_elem,ie,l,m,mp,nType,indUnique,nLO,iLO,iLOp,i_elemLO
INTEGER :: jspin,nspins,ipm,kkcut,lp,nTypep,refCutoff
INTEGER :: spin_cut,contourShape
INTEGER :: i_gf,i_elem,l,m,mp,nType,indUnique,nLO,iLO,iLOp,i_elemLO
INTEGER :: jspin,nspins,ipm,lp,nTypep,refCutoff
INTEGER :: contourShape
INTEGER :: i_gf_start,i_gf_end,spin_start,spin_end
INTEGER :: n_gf_task,extra
LOGICAL :: l_onsite,l_fixedCutoffset,l_sphavg
REAL :: fac,del,eb,et,fixedCutoff,atomDiff(3)
REAL :: del,eb,fixedCutoff,atomDiff(3)
REAL, ALLOCATABLE :: eMesh(:),imag(:)
!Get the information on the real axis energy mesh
......
......@@ -37,7 +37,7 @@ MODULE m_greensfPostProcess
TYPE(t_greensfImagPart), INTENT(INOUT) :: greensfImagPart
TYPE(t_greensf), INTENT(INOUT) :: greensFunction(:)
INTEGER i_gf,nType,l,lp,atomType,atomTypep,i_elem,indUnique,jspin,ierr,i
INTEGER i_gf,l,lp,atomType,atomTypep,i_elem,indUnique,jspin,ierr,i
COMPLEX mmpmat(-lmaxU_const:lmaxU_const,-lmaxU_const:lmaxU_const,gfinp%n,3)
LOGICAL l_sphavg,l_check
......@@ -104,7 +104,7 @@ MODULE m_greensfPostProcess
! Obtain the real part of the Green's Function via the Kramers Kronig Integration
!--------------------------------------------------------------------------------
CALL timestart("Green's Function: Real Part")
CALL greensfCalcRealPart(atoms,gfinp,input,sym,noco,usdus,denCoeffsOffDiag,mpi,results%ef,&
CALL greensfCalcRealPart(atoms,gfinp,input,noco,usdus,denCoeffsOffDiag,mpi,results%ef,&
greensfImagPart,greensFunction)
CALL timestop("Green's Function: Real Part")
......@@ -115,7 +115,7 @@ MODULE m_greensfPostProcess
!-------------------------------------------------------------
!calculate the crystal field contribution to the local hamiltonian in LDA+Hubbard 1
IF(atoms%n_hia.GT.0 .AND. ANY(ABS(hub1inp%ccf(:)).GT.1e-12)) THEN
CALL crystal_field(atoms,gfinp,hub1inp,input,nococonv,greensfImagPart,vTot,results%ef,hub1data)
CALL crystal_field(atoms,gfinp,input,nococonv,greensfImagPart,vTot,results%ef,hub1data)
ENDIF
!Onsite exchange Splitting from difference of center of mass of the bands
......
......@@ -45,7 +45,7 @@ MODULE m_kkintgr
COMPLEX, INTENT(INOUT) :: g(:) !Green's function on the complex plane
INTEGER, INTENT(IN) :: method !Integer associated with the method to be used (definitions above)
INTEGER :: iz,izp,n1,n2,i,ne,nz
INTEGER :: iz,izp,n1,n2,ne,nz
INTEGER :: ismooth,nsmooth
REAL :: eb,del
REAL :: re_n1,re_n2,im_n1,im_n2
......
......@@ -28,9 +28,9 @@ MODULE m_lsTOjmj
k = mj+(jj+1)*l
DO s = -1, 1, 2
DO ml = -l, l
IF(ml-s*0.5.NE.mj-1-j*0.5) CYCLE
IF(ABS((ml-s*0.5)-(mj-1-j*0.5)).GT.1e-12) CYCLE
!In libedsolver spin up and down are flipped
i = ml+l+1+(1+s)/2.0*(2*l+1)
i = INT(ml+l+1+(1+s)/2.0*(2*l+1))
!The minus sign in contrast to occup.f90 stems from the fact
!that the spins are stored in reversed order in the solver
cmat%data_r(i,k) = clebsch(1.0*l,0.5,1.0*ml,-s*0.5,j*0.5,mj-1-j*0.5)
......
......@@ -36,7 +36,7 @@ MODULE m_occmtx
INTEGER :: ind1,ind2,ipm,iz,ispin,l,lp,atomType,atomTypep,m,mp,i,ns,spin_start,spin_end
REAL :: re,imag,nup,ndwn,nhi,nlow,tr
REAL :: nup,ndwn,nhi,nlow,tr
TYPE(t_mat) :: gmat,cmat,jmat
CHARACTER(len=300) :: message
TYPE(t_contourInp) :: contourInp
......@@ -49,7 +49,7 @@ MODULE m_occmtx
contourInp = gfinp%contour(g%elem%iContour)
!Check for Contours not reproducing occupations
IF(contourInp%shape.EQ.CONTOUR_SEMICIRCLE_CONST.AND.contourInp%et.NE.0.0) &
IF(contourInp%shape.EQ.CONTOUR_SEMICIRCLE_CONST.AND.ABS(contourInp%et).GT.1e-12) &
WRITE(oUnit,*) "Energy contour not ending at efermi: These are not the actual occupations"
IF(contourInp%shape.EQ.CONTOUR_DOS_CONST.AND..NOT.contourInp%l_dosfermi) &
WRITE(oUnit,*) "Energy contour not weighted for occupations: These are not the actual occupations"
......
......@@ -130,7 +130,7 @@ MODULE m_greensf_io
INTEGER :: hdfError
INTEGER :: dimsInt(7)
INTEGER :: ispin,m,l,lp,atomType,atomTypep,jspinsOut,iContour
INTEGER :: i_elem,n_elem,i,iContourOut,nLO,iLo,iLOp
INTEGER :: i_elem,i,iContourOut,nLO,iLo,iLOp
INTEGER(HSIZE_T) :: dims(7)
REAL :: trc(MERGE(3,input%jspins,gfinp%l_mperp)),atomDiff(3)
LOGICAL :: l_sphavg,l_onsite,l_anyradial
......
......@@ -22,7 +22,7 @@ MODULE m_crystalfield
CONTAINS
SUBROUTINE crystal_field(atoms,gfinp,hub1inp,input,nococonv,greensfImagPart,v,ef,hub1data)
SUBROUTINE crystal_field(atoms,gfinp,input,nococonv,greensfImagPart,v,ef,hub1data)
!calculates the crystal-field matrix for the local hamiltonian
......@@ -31,14 +31,13 @@ MODULE m_crystalfield
TYPE(t_gfinp), INTENT(IN) :: gfinp
TYPE(t_input), INTENT(IN) :: input
TYPE(t_nococonv), INTENT(IN) :: nococonv
TYPE(t_hub1inp), INTENT(IN) :: hub1inp
TYPE(t_potden), INTENT(IN) :: v !LDA+U potential (should be removed from h_loc)
REAL, INTENT(IN) :: ef
TYPE(t_hub1data), INTENT(INOUT) :: hub1data
!-Local Scalars
INTEGER i_gf,l,nType,jspin,m,mp,ie,i_hia,kkcut,i_u,isp,i_elem
REAL tr,xiSOC,del,eb
INTEGER i_gf,l,nType,jspin,m,mp,ie,i_hia,i_u,isp,i_elem
REAL tr,del,eb
COMPLEX vso
LOGICAL, PARAMETER :: l_correctMinus = .FALSE.
REAL, PARAMETER :: excTolerance = 0.2/hartree_to_ev_const
......@@ -107,7 +106,7 @@ MODULE m_crystalfield
DO jspin = 1, 2
DO m = -l, l
DO mp = -l, l
isp = 3.0-2.0*jspin !1,-1
isp = 3-2*jspin !1,-1
IF((ABS(nococonv%theta).LT.1e-5).AND.(ABS(nococonv%phi).LT.1e-5)) THEN
vso = CMPLX(sgml(l,m,isp,l,mp,isp),0.0)
ELSE
......
......@@ -119,7 +119,7 @@ MODULE m_types_greensf
CLASS(t_greensf), INTENT(INOUT)::this
INTEGER, INTENT(IN):: mpi_comm
INTEGER, INTENT(IN), OPTIONAL::irank
INTEGER ::rank,myrank,n,ierr
INTEGER ::rank
IF (PRESENT(irank)) THEN
rank = irank
ELSE
......@@ -231,7 +231,7 @@ MODULE m_types_greensf
TYPE(t_usdus), OPTIONAL, INTENT(IN) :: usdus
TYPE(t_denCoeffsOffDiag), OPTIONAL, INTENT(IN) :: denCoeffsOffDiag
INTEGER matsize1,matsize2,i,j,ind1,ind2,ind1_start,ind2_start
INTEGER matsize1,matsize2,ind1,ind2,ind1_start,ind2_start
INTEGER m,mp,spin1,spin2,ipm,ispin,spin_start,spin_end,spin_ind,m_ind,mp_ind
INTEGER l,lp,atomType,atomTypep,nspins,ilo,ilop,iLO_ind,iLOp_ind
LOGICAL l_full,l_scalar
......@@ -768,7 +768,7 @@ MODULE m_types_greensf
TYPE(t_mat), INTENT(IN) :: gmat
INTEGER, OPTIONAL, INTENT(IN) :: spin
INTEGER matsize1,matsize2,i,j,ind1,ind2,ind1_start,ind2_start
INTEGER matsize1,matsize2,ind1,ind2,ind1_start,ind2_start
INTEGER l,lp,atomType,atomTypep,m,mp,spin1,spin2,ipm,ispin,spin_start,spin_end
LOGICAL l_full
......
......@@ -80,12 +80,11 @@ MODULE m_types_greensfCoeffs
CONTAINS
SUBROUTINE greensfBZintCoeffs_init(this,gfinp,atoms,input,noco,jsp_start,jsp_end,nkpts,nbands)
SUBROUTINE greensfBZintCoeffs_init(this,gfinp,atoms,noco,jsp_start,jsp_end,nkpts,nbands)
CLASS(t_greensfBZintCoeffs), INTENT(INOUT) :: this
TYPE(t_gfinp), INTENT(IN) :: gfinp
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_input), INTENT(IN) :: input
TYPE(t_noco), INTENT(IN) :: noco
INTEGER, INTENT(IN) :: jsp_start,jsp_end
INTEGER, INTENT(IN) :: nkpts,nbands !number of kpts and bands handled by this rank
......@@ -237,7 +236,7 @@ MODULE m_types_greensfCoeffs
CLASS(t_greensfImagPart), INTENT(INOUT)::this
INTEGER, INTENT(IN):: mpi_comm
INTEGER, INTENT(IN), OPTIONAL::irank
INTEGER ::rank,myrank,n,ierr
INTEGER ::rank
IF (PRESENT(irank)) THEN
rank = irank
ELSE
......
......@@ -60,7 +60,7 @@ MODULE m_types_greensfContourData
CLASS(t_greensfContourData), INTENT(INOUT)::this
INTEGER, INTENT(IN):: mpi_comm
INTEGER, INTENT(IN), OPTIONAL::irank
INTEGER ::rank,myrank,n,ierr
INTEGER ::rank
IF (PRESENT(irank)) THEN
rank = irank
ELSE
......@@ -85,7 +85,7 @@ MODULE m_types_greensfContourData
REAL, INTENT(IN) :: ef
INTEGER, INTENT(IN) :: irank
INTEGER iz,n,i_gf,iContour
INTEGER iz,n
REAL e1, e2, sigma
COMPLEX del
REAL r, xr, expo, ff
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment