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rbshtip.f90
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1
2! Copyright (C) 2023 J. K. Dewhurst and S. Sharma.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine rbshtip(nr,nri,rfmt)
7use modmain
8implicit none
9! arguments
10integer, intent(in) :: nr,nri
11real(8), intent(inout) :: rfmt(*)
12! local variables
13integer nro,npi,npo,i
14! automatic arrays
15real(8) f(max(lmmaxi*nri,lmmaxo*(nr-nri)))
16! transform the inner part of the muffin-tin function in-place
17npi=lmmaxi*nri
18f(1:npi)=rfmt(1:npi)
19call dgemm('N','N',lmmaxi,nri,lmmaxi,1.d0,rbshti,lmmaxi,f,lmmaxi,0.d0,rfmt, &
20 lmmaxi)
21! transform the outer part of the muffin-tin function in-place
22nro=nr-nri
23npo=lmmaxo*nro
24i=npi+1
25f(1:npo)=rfmt(i:npi+npo)
26call dgemm('N','N',lmmaxo,nro,lmmaxo,1.d0,rbshto,lmmaxo,f,lmmaxo,0.d0,rfmt(i), &
27 lmmaxo)
28end subroutine
29
real(8), dimension(:,:), allocatable rbshto
Definition modmain.f90:569
real(8), dimension(:,:), allocatable rbshti
Definition modmain.f90:565
subroutine rbshtip(nr, nri, rfmt)
Definition rbshtip.f90:7