Commit 0aecd3ce authored by Matthias Redies's avatar Matthias Redies

cleanup checkolap

parent 53644a4e
......@@ -5,7 +5,7 @@
SUBROUTINE checkolap(atoms, hybdat,&
& hybrid,&
& nkpti, kpts,&
& dimension, mpi, skip_kpt,&
& dimension, mpi, &
& input, sym, noco,&
& cell, lapw, jsp)
USE m_util, ONLY: intgrf, intgrf_init, chr, sphbessel, harmonicsr
......@@ -31,16 +31,13 @@
INTEGER, INTENT(IN) :: jsp
INTEGER, INTENT(IN) :: nkpti
! - arrays -
LOGICAL, INTENT(IN) :: skip_kpt(nkpti)
! - local scalars -
INTEGER :: i, itype, iatom, ikpt, ineq, igpt, iband
INTEGER :: irecl_cmt
INTEGER :: j, m
INTEGER :: l
INTEGER :: lm, lm1
INTEGER :: n, nred, nbasfcn
INTEGER :: n, nbasfcn
REAL :: rdum, rdum1
REAL :: qnorm
......@@ -55,16 +52,14 @@
REAL :: sphbes(0:atoms%lmaxd)
REAL :: q(3)
REAL :: integrand(atoms%jmtd)
REAL :: bkpt(3)
REAL :: rarr(maxval(hybrid%nbands))
REAL :: rtaual(3)
REAL, ALLOCATABLE :: olapcb(:)
REAL, ALLOCATABLE :: olapcv_avg(:, :, :, :), olapcv_max(:, :, :, :)
TYPE(t_mat), ALLOCATABLE :: z(:)
COMPLEX :: cmt(dimension%neigd, hybrid%maxlmindx, atoms%nat, nkpti)
COMPLEX :: y((atoms%lmaxd + 1)**2)
COMPLEX, ALLOCATABLE :: olapcv(:, :), olapww(:, :)
COMPLEX, ALLOCATABLE :: olapcv(:, :)
COMPLEX, ALLOCATABLE :: carr1(:, :), carr2(:, :), carr3(:, :)
CHARACTER, PARAMETER :: lchar(0:38) =&
......
......@@ -158,7 +158,7 @@ CONTAINS
hybdat%lmaxc, hybdat%nindxc, hybdat%core1, hybdat%core2, hybdat%eig_c)
! check olap between core-basis/core-valence/basis-basis
CALL checkolap(atoms, hybdat, hybrid, kpts%nkpt, kpts, dimension, mpi, skip_kpt, &
CALL checkolap(atoms, hybdat, hybrid, kpts%nkpt, kpts, dimension, mpi, &
input, sym, noco, cell, lapw, jsp)
! set up pointer pntgpt
......
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