The Elk Code
gengclqu.f90
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1 
2 ! Copyright (C) 2025 Wenhan Chen, 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 gengclqu
7 use modmain
8 use modulr
9 implicit none
10 ! local variables
11 integer iq
12 if (q0cut >= 0.d0) then
13 ! hard cut-off
14  do iq=1,nqpt
15  gclq(iq)=merge(fourpi/qc(iq)**2,0.d0,qc(iq) > q0cut)
16  end do
17 else
18 ! Yukawa-type screening
19  gclq(1)=0.d0
20  gclq(2:nqpt)=fourpi/(qc(2:nqpt)**2+q0cut**2)
21 end if
22 end subroutine
23 
real(8), dimension(:), allocatable qc
Definition: modmain.f90:552
integer nqpt
Definition: modmain.f90:528
subroutine gengclqu
Definition: gengclqu.f90:7
real(8) q0cut
Definition: modulr.f90:32
real(8), dimension(:), allocatable gclq
Definition: modmain.f90:558
real(8), parameter fourpi
Definition: modmain.f90:1234
Definition: modulr.f90:6