Commit be2e95e7 authored by Matthias Redies's avatar Matthias Redies

fix typo

parent b4663d25
......@@ -404,7 +404,7 @@ CONTAINS
hybrid%maxlmindx = 0
do itype = 1,atoms%ntype
hybrid%maxlmindx = max(hybrdi%maxlmindx,
hybrid%maxlmindx = max(hybrid%maxlmindx,
SUM([hybrid%num_radfun_per_l(l, itype)*(2*l + 1), l=0, atoms%lmax(itype)]))
enddo
END SUBROUTINE mixedbasis
......@@ -535,34 +535,6 @@ CONTAINS
)
end function calc_radbas_norm
subroutine calc_olap_radbasfn(atoms, mpbasis, l, itype, gridf, olap)
USE m_intgrf, ONLY: intgrf
use m_types
implicit NONE
type(t_atoms), intent(in) :: atoms
type(t_mpbasis), intent(in) :: mpbasis
integer, intent(in) :: l, itype
real, intent(in) :: gridf(:,:)
real, intent(inout), allocatable :: olap(:,:)
integer :: n1, n2, n_radbasfn
n_radbasfn = mpbasis%num_radbasfn(l, itype)
if(allocated(olap)) then
if(any(shape(olap) /= n_radbasfn)) then
deallocate(olap)
endif
endif
if(.not. allocated(olap)) allocate(olap(n_radbasfn, n_radbasfn), source=0.0)
DO n2 = 1, n_radbasfn
DO n1 = 1, n2
olap(n1, n2) = intgrf(mpbasis%radbasfn_mt(:,n1, l, itype)*mpbasis%radbasfn_mt(:,n2, l, itype), &
atoms, itype, gridf)
olap(n2, n1) = olap(n1, n2)
END DO
END DO
end subroutine calc_olap_radbasfn
subroutine filter_radbasfn(hybrid, l, itype, n_radbasfn, eig, eigv, mpbasis)
......
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