Commit 20bcf3d3 authored by Matthias Redies's avatar Matthias Redies

removed unused vars from gen_wavf

parent da7ee2cd
......@@ -15,7 +15,7 @@ MODULE m_gen_wavf
CONTAINS
SUBROUTINE gen_wavf(nkpti, kpts, it, sym, atoms, el_eig, ello_eig, cell, dimension, hybrid, vr0, &
SUBROUTINE gen_wavf(nkpti, kpts, sym, atoms, el_eig, ello_eig, cell, dimension, hybrid, vr0, &
hybdat, noco, oneD, mpi, input, jsp, zmat)
! nkpti :: number of irreducible k-points
......@@ -46,7 +46,7 @@ CONTAINS
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_mat), INTENT(IN) :: zmat(:) !for all kpoints
INTEGER, INTENT(IN) :: nkpti, it
INTEGER, INTENT(IN) :: nkpti
INTEGER, INTENT(IN) :: jsp
REAL, INTENT(IN) :: vr0(:, :, :)!(jmtd,ntype,jspd)
......@@ -54,10 +54,10 @@ CONTAINS
REAL, INTENT(IN) :: ello_eig(atoms%nlod, atoms%ntype)
! local scalars
INTEGER :: ilo, idum, m, irecl_cmt, irecl_z
INTEGER :: ilo, idum, m
COMPLEX :: cdum
TYPE(t_mat) :: zhlp
INTEGER :: ikpt0, ikpt, itype, iop, ispin, ieq, indx, iatom
INTEGER :: ikpt0, ikpt, itype, iop, ieq, indx, iatom
INTEGER :: i, j, l, ll, lm, ng, ok
COMPLEX :: img = (0.0, 1.0)
......@@ -79,8 +79,6 @@ CONTAINS
REAL :: uuilon(atoms%nlod, atoms%ntype), duilon(atoms%nlod, atoms%ntype)
REAL :: ulouilopn(atoms%nlod, atoms%nlod, atoms%ntype)
REAL :: bkpt(3)
! local arrays for abcof1
! COMPLEX :: a(nvd,0:lmd,natd,nkpti),b(nvd,0:lmd,natd,nkpti)
......@@ -281,14 +279,6 @@ CONTAINS
DEALLOCATE (acof, bcof, ccof)
DEALLOCATE (cmt, cmthlp)
!write out mat's
call execute_command_line("cp cmt " // new_filename("cmt", it))
call execute_command_line("cp z.mat " // new_filename("zmat", it))
!read out mat's
!call execute_command_line("cp " // new_filename("cmt", it) // " cmt")
!call execute_command_line("cp " // new_filename("zmat", it) // " z.mat")
END SUBROUTINE gen_wavf
......
......@@ -9,7 +9,7 @@ MODULE m_hf_setup
CONTAINS
SUBROUTINE hf_setup(hybrid, input, sym, kpts, DIMENSION, atoms, mpi, noco, cell, oneD, results, jsp, enpara, eig_id_hf, &
hybdat, it, l_real, vr0, eig_irr)
hybdat, l_real, vr0, eig_irr)
USE m_types
USE m_eig66_io
USE m_util
......@@ -33,7 +33,6 @@ CONTAINS
TYPE(t_results), INTENT(INOUT) :: results
TYPE(t_hybdat), INTENT(INOUT) :: hybdat
INTEGER, INTENT(IN) :: it
INTEGER, INTENT(IN) :: jsp, eig_id_hf
REAL, INTENT(IN) :: vr0(:, :, :)
LOGICAL, INTENT(IN) :: l_real
......@@ -151,7 +150,7 @@ CONTAINS
END DO
! generate eigenvectors z and MT coefficients from the previous iteration at all k-points
CALL gen_wavf(kpts%nkpt, kpts, it, sym, atoms, enpara%el0(:, :, jsp), enpara%ello0(:, :, jsp), cell, dimension, &
CALL gen_wavf(kpts%nkpt, kpts, sym, atoms, enpara%el0(:, :, jsp), enpara%ello0(:, :, jsp), cell, dimension, &
hybrid, vr0, hybdat, noco, oneD, mpi, input, jsp, zmat)
! generate core wave functions (-> core1/2(jmtd,hybdat%nindxc,0:lmaxc,ntype) )
......
......@@ -120,7 +120,7 @@ CONTAINS
DO jsp = 1, input%jspins
call timestart("HF_setup")
CALL HF_setup(hybrid, input, sym, kpts, dimension, atoms, mpi, noco, cell, oneD, results, jsp, enpara, eig_id, &
hybdat, iterHF, sym%invs, v%mt(:, 0, :, :), eig_irr)
hybdat, sym%invs, v%mt(:, 0, :, :), eig_irr)
call timestop("HF_setup")
DO nk = 1, kpts%nkpt
......
......@@ -459,7 +459,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
results%neig(:,:) = neigTemp(:,:)
CALL HF_setup(hybrid,input,sym,kpts,dimension,atoms,mpi,noco,cell,oneD,results,jspin,enpara,eig_id,&
hybdat,iterHF,sym%invs,vTot%mt(:,0,:,:),eig_irr)
hybdat,sym%invs,vTot%mt(:,0,:,:),eig_irr)
results%neig(:,:) = highestState(:,:) + 1
......
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