The Elk Code
rfint.f90
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! Copyright (C) 2007 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
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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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real(8)
function
rfint
(rfmt,rfir)
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use
modmain
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implicit none
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! arguments
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real(8)
,
intent(in)
:: rfmt(
npmtmax
,
natmtot
),rfir(
ngtot
)
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! local variables
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integer
is,ias
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! external functions
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real(8)
,
external
::
rfmtint
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! interstitial contribution
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rfint
=dot_product(rfir(1:
ngtot
),
cfunir
(1:
ngtot
))
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rfint
=
rfint
*(
omega
/
ngtot
)
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! muffin-tin contribution
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do
ias=1,
natmtot
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is=
idxis
(ias)
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rfint
=
rfint
+
rfmtint
(
nrmt
(is),
nrmti
(is),
wr2mt
(:,is),rfmt(:,ias))
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end do
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end function
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modmain::ngtot
integer ngtot
Definition:
modmain.f90:390
modmain::omega
real(8) omega
Definition:
modmain.f90:20
rfmtint
pure real(8) function rfmtint(nr, nri, wr, rfmt)
Definition:
rfmtint.f90:7
modmain
Definition:
modmain.f90:6
modmain::cfunir
real(8), dimension(:), allocatable cfunir
Definition:
modmain.f90:436
modmain::idxis
integer, dimension(maxatoms *maxspecies) idxis
Definition:
modmain.f90:44
modmain::npmtmax
integer npmtmax
Definition:
modmain.f90:216
rfint
real(8) function rfint(rfmt, rfir)
Definition:
rfint.f90:7
modmain::natmtot
integer natmtot
Definition:
modmain.f90:40
modmain::nrmti
integer, dimension(maxspecies) nrmti
Definition:
modmain.f90:211
modmain::wr2mt
real(8), dimension(:,:), allocatable wr2mt
Definition:
modmain.f90:183
modmain::nrmt
integer, dimension(maxspecies) nrmt
Definition:
modmain.f90:150
rfint.f90
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