The Elk Code
rfshtip.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 
6 subroutine rfshtip(nr,nri,rfmt)
7 use modmain
8 implicit none
9 ! arguments
10 integer, intent(in) :: nr,nri
11 real(8), intent(inout) :: rfmt(*)
12 ! local variables
13 integer nro,npi,npo,i
14 ! automatic arrays
15 real(8) f(max(lmmaxi*nri,lmmaxo*(nr-nri)))
16 ! transform the inner part of the muffin-tin function in-place
17 npi=lmmaxi*nri
18 f(1:npi)=rfmt(1:npi)
19 call dgemm('N','N',lmmaxi,nri,lmmaxi,1.d0,rfshti,lmmaxi,f,lmmaxi,0.d0,rfmt, &
20  lmmaxi)
21 ! transform the outer part of the muffin-tin function in-place
22 nro=nr-nri
23 npo=lmmaxo*nro
24 i=npi+1
25 f(1:npo)=rfmt(i:npi+npo)
26 call dgemm('N','N',lmmaxo,nro,lmmaxo,1.d0,rfshto,lmmaxo,f,lmmaxo,0.d0,rfmt(i), &
27  lmmaxo)
28 end subroutine
29 
subroutine rfshtip(nr, nri, rfmt)
Definition: rfshtip.f90:7
real(8), dimension(:,:), allocatable rfshti
Definition: modmain.f90:567
real(8), dimension(:,:), allocatable rfshto
Definition: modmain.f90:571