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rfint0.f90
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1
2! Copyright (C) 2018 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine rfint0(rf0,rfmt,rfir)
7use modmain
8implicit none
9! arguments
10real(8), intent(in) :: rf0
11real(8), intent(inout) :: rfmt(npmtmax,natmtot),rfir(ngtot)
12! local variables
13integer is,ias,nr,nri
14integer iro,i0,i1
15real(8) t1
16! external functions
17real(8), external :: rfint
18t1=rfint(rfmt,rfir)
19t1=rf0-t1/omega
20rfir(1:ngtot)=rfir(1:ngtot)+t1
21t1=t1*y00i
22do ias=1,natmtot
23 is=idxis(ias)
24 nr=nrmt(is)
25 nri=nrmti(is)
26 iro=nri+1
27 i1=lmmaxi*(nri-1)+1
28 rfmt(1:i1:lmmaxi,ias)=rfmt(1:i1:lmmaxi,ias)+t1
29 i0=i1+lmmaxi
30 i1=lmmaxo*(nr-iro)+i0
31 rfmt(i0:i1:lmmaxo,ias)=rfmt(i0:i1:lmmaxo,ias)+t1
32end do
33end subroutine
34
integer, dimension(maxspecies) nrmti
Definition modmain.f90:211
real(8), parameter y00i
Definition modmain.f90:1234
integer, dimension(maxspecies) nrmt
Definition modmain.f90:150
integer lmmaxi
Definition modmain.f90:207
real(8) omega
Definition modmain.f90:20
integer, dimension(maxatoms *maxspecies) idxis
Definition modmain.f90:44
integer lmmaxo
Definition modmain.f90:203
subroutine rfint0(rf0, rfmt, rfir)
Definition rfint0.f90:7
real(8) function rfint(rfmt, rfir)
Definition rfint.f90:7