The Elk Code
olpaloq.f90
Go to the documentation of this file.
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 
6 subroutine olpaloq(is,ias,ngp,ngpq,apwalm,apwalmq,ld,oq)
7 use modmain
8 implicit none
9 ! arguments
10 integer, intent(in) :: is,ias,ngp,ngpq
11 complex(8), intent(in) :: apwalm(ngkmax,apwordmax,lmmaxapw)
12 complex(8), intent(in) :: apwalmq(ngkmax,apwordmax,lmmaxapw)
13 integer, intent(in) :: ld
14 complex(8), intent(inout) :: oq(ld,*)
15 ! local variables
16 integer ilo,io,l,lm,i,j
17 real(8) t1
18 do ilo=1,nlorb(is)
19  l=lorbl(ilo,is)
20  do lm=l**2+1,(l+1)**2
21  j=idxlo(lm,ilo,ias)
22  i=ngpq+j
23  j=ngp+j
24  do io=1,apword(l,is)
25  t1=oalo(io,ilo,ias)
26  oq(1:ngpq,j)=oq(1:ngpq,j)+t1*conjg(apwalmq(1:ngpq,io,lm))
27  oq(i,1:ngp)=oq(i,1:ngp)+t1*apwalm(1:ngp,io,lm)
28  end do
29  end do
30 end do
31 end subroutine
32 
integer, dimension(maxspecies) nlorb
Definition: modmain.f90:784
integer, dimension(:,:,:), allocatable idxlo
Definition: modmain.f90:851
real(8), dimension(:,:,:), allocatable oalo
Definition: modmain.f90:853
subroutine olpaloq(is, ias, ngp, ngpq, apwalm, apwalmq, ld, oq)
Definition: olpaloq.f90:7
integer, dimension(0:maxlapw, maxspecies) apword
Definition: modmain.f90:756
integer, dimension(maxlorb, maxspecies) lorbl
Definition: modmain.f90:794