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olpaloq.f90
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1
2! Copyright (C) 2013 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine olpaloq(is,ias,ngp,ngpq,apwalm,apwalmq,ld,oq)
7use modmain
8implicit none
9! arguments
10integer, intent(in) :: is,ias
11integer, intent(in) :: ngp,ngpq
12complex(8), intent(in) :: apwalm(ngkmax,apwordmax,lmmaxapw)
13complex(8), intent(in) :: apwalmq(ngkmax,apwordmax,lmmaxapw)
14integer, intent(in) :: ld
15complex(8), intent(inout) :: oq(ld,*)
16! local variables
17integer ilo,io,l,lm
18integer i0,j0,i,j
19real(8) t1
20do ilo=1,nlorb(is)
21 l=lorbl(ilo,is)
22 do lm=l**2+1,(l+1)**2
23 i=idxlo(lm,ilo,ias)
24 i0=ngpq+i
25 j0=ngp+i
26 do io=1,apword(l,is)
27 t1=oalo(io,ilo,ias)
28 do i=1,ngpq
29 oq(i,j0)=oq(i,j0)+t1*conjg(apwalmq(i,io,lm))
30 end do
31 do j=1,ngp
32 oq(i0,j)=oq(i0,j)+t1*apwalm(j,io,lm)
33 end do
34 end do
35 end do
36end do
37end subroutine
38
integer, dimension(:,:,:), allocatable idxlo
Definition modmain.f90:850
integer, dimension(0:maxlapw, maxspecies) apword
Definition modmain.f90:758
integer, dimension(maxspecies) nlorb
Definition modmain.f90:786
real(8), dimension(:,:,:), allocatable oalo
Definition modmain.f90:852
integer, dimension(maxlorb, maxspecies) lorbl
Definition modmain.f90:796
subroutine olpaloq(is, ias, ngp, ngpq, apwalm, apwalmq, ld, oq)
Definition olpaloq.f90:7