1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
|
! Copyright (C) 2013 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.
subroutine dolpaa(is,ias,ngp,ngpq,apwalm,apwalmq,dapwalm,dapwalmq,ld,od)
use modmain
use modphonon
implicit none
! arguments
integer, intent(in) :: is,ias
integer, intent(in) :: ngp,ngpq
complex(8), intent(in) :: apwalm(ngkmax,apwordmax,lmmaxapw)
complex(8), intent(in) :: apwalmq(ngkmax,apwordmax,lmmaxapw)
complex(8), intent(in) :: dapwalm(ngkmax,apwordmax,lmmaxapw)
complex(8), intent(in) :: dapwalmq(ngkmax,apwordmax,lmmaxapw)
integer, intent(in) :: ld
complex(8), intent(inout) :: od(*)
! local variables
integer io,l,lm,i
! automatic arrays
complex(8) a(lmoapw(is),ngpq),b(lmoapw(is),ngp)
if (ias /= iasph) return
i=0
do l=0,lmaxapw
do lm=l**2+1,(l+1)**2
do io=1,apword(l,is)
i=i+1
a(i,1:ngpq)=apwalmq(1:ngpq,io,lm)
b(i,1:ngp)=dapwalm(1:ngp,io,lm)
end do
end do
end do
call zmctm(lmoapw(is),ngpq,ngp,a,b,ld,od)
i=0
do l=0,lmaxapw
do lm=l**2+1,(l+1)**2
do io=1,apword(l,is)
i=i+1
a(i,1:ngpq)=dapwalmq(1:ngpq,io,lm)
b(i,1:ngp)=apwalm(1:ngp,io,lm)
end do
end do
end do
call zmctm(lmoapw(is),ngpq,ngp,a,b,ld,od)
end subroutine
|
