The Elk Code
rfshtip.f90
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! Copyright (C) 2023 J. K. Dewhurst and S. Sharma.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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subroutine
rfshtip
(nr,nri,rfmt)
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use
modmain
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implicit none
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! arguments
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integer
,
intent(in)
:: nr,nri
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real(8)
,
intent(inout)
:: rfmt(*)
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! local variables
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integer
nro,npi,np,i
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nro=nr-nri
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npi=
lmmaxi
*nri
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np=npi+
lmmaxo
*nro
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i=npi+1
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block
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real(8)
f(np)
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f(1:np)=rfmt(1:np)
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! transform the inner part of the muffin-tin function in-place
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call
dgemm(
'N'
,
'N'
,
lmmaxi
,nri,
lmmaxi
,1.d0,
rfshti
,
lmmaxi
,f,
lmmaxi
,0.d0,rfmt, &
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lmmaxi
)
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! transform the outer part of the muffin-tin function in-place
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call
dgemm(
'N'
,
'N'
,
lmmaxo
,nro,
lmmaxo
,1.d0,
rfshto
,
lmmaxo
,f(i),
lmmaxo
,0.d0, &
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rfmt(i),
lmmaxo
)
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end
block
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end subroutine
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modmain::lmmaxo
integer lmmaxo
Definition:
modmain.f90:203
modmain
Definition:
modmain.f90:6
rfshtip
subroutine rfshtip(nr, nri, rfmt)
Definition:
rfshtip.f90:7
modmain::lmmaxi
integer lmmaxi
Definition:
modmain.f90:207
modmain::rfshti
real(8), dimension(:,:), allocatable rfshti
Definition:
modmain.f90:567
modmain::rfshto
real(8), dimension(:,:), allocatable rfshto
Definition:
modmain.f90:571
rfshtip.f90
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