The Elk Code
rfint.f90
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1 
2 ! Copyright (C) 2007 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
3 ! This file is distributed under the terms of the GNU General Public License.
4 ! See the file COPYING for license details.
5 
6 real(8) function rfint(rfmt,rfir)
7 use modmain
8 implicit none
9 ! arguments
10 real(8), intent(in) :: rfmt(npmtmax,natmtot),rfir(ngtot)
11 ! local variables
12 integer is,ias
13 ! external functions
14 real(8), external :: rfmtint
15 ! interstitial contribution
16 rfint=dot_product(rfir(1:ngtot),cfunir(1:ngtot))
18 ! muffin-tin contribution
19 do ias=1,natmtot
20  is=idxis(ias)
21  rfint=rfint+rfmtint(nrmt(is),nrmti(is),wr2mt(:,is),rfmt(:,ias))
22 end do
23 end function
24 
integer ngtot
Definition: modmain.f90:390
real(8) omega
Definition: modmain.f90:20
pure real(8) function rfmtint(nr, nri, wr, rfmt)
Definition: rfmtint.f90:7
real(8), dimension(:), allocatable cfunir
Definition: modmain.f90:436
integer, dimension(maxatoms *maxspecies) idxis
Definition: modmain.f90:44
integer npmtmax
Definition: modmain.f90:216
real(8) function rfint(rfmt, rfir)
Definition: rfint.f90:7
integer natmtot
Definition: modmain.f90:40
integer, dimension(maxspecies) nrmti
Definition: modmain.f90:211
real(8), dimension(:,:), allocatable wr2mt
Definition: modmain.f90:183
integer, dimension(maxspecies) nrmt
Definition: modmain.f90:150