The Elk Code
 
Loading...
Searching...
No Matches
dolpalo.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
6pure subroutine dolpalo(is,ias,ngp,ngpq,dapwalm,dapwalmq,ld,od)
7use modmain
8use modphonon
9implicit none
10! arguments
11integer, intent(in) :: is,ias,ngp,ngpq
12complex(8), intent(in) :: dapwalm(ngkmax,apwordmax,lmmaxapw)
13complex(8), intent(in) :: dapwalmq(ngkmax,apwordmax,lmmaxapw)
14integer, intent(in) :: ld
15complex(8), intent(inout) :: od(ld,*)
16! local variables
17integer ilo,io,l,lm,i,j,k
18real(8) t1
19if (ias /= iasph) return
20do ilo=1,nlorb(is)
21 l=lorbl(ilo,is)
22 do lm=l**2+1,(l+1)**2
23 k=idxlo(lm,ilo,ias)
24 i=ngpq+k
25 j=ngp+k
26 do io=1,apword(l,is)
27 t1=oalo(io,ilo,ias)
28 od(1:ngpq,j)=od(1:ngpq,j)+t1*conjg(dapwalmq(1:ngpq,io,lm))
29 od(i,1:ngp)=od(i,1:ngp)+t1*dapwalm(1:ngp,io,lm)
30 end do
31 end do
32end do
33end subroutine
34
pure subroutine dolpalo(is, ias, ngp, ngpq, dapwalm, dapwalmq, ld, od)
Definition dolpalo.f90:7
integer, dimension(:,:,:), allocatable idxlo
Definition modmain.f90:850
integer, dimension(0:maxlapw, maxspecies) apword
Definition modmain.f90:758
integer lmmaxapw
Definition modmain.f90:199
integer apwordmax
Definition modmain.f90:760
integer ngkmax
Definition modmain.f90:499
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
integer iasph
Definition modphonon.f90:15