The Elk Code
 
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writegwsf.f90
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1
2! Copyright (C) 2016 A. Davydov, A. Sanna, J. K. Dewhurst, S. Sharma and
3! E. K. U. Gross. This file is distributed under the terms of the GNU General
4! Public License. See the file COPYING for license details.
5
6subroutine writegwsf(ik,wr,sf)
7use modmain
8use modgw
9implicit none
10! arguments
11integer, intent(in) :: ik
12real(8), intent(in) :: wr(nwplot),sf(nwplot)
13! local variables
14integer iw,ist
15real(8) e
16character(256) fname
17write(fname,'("GWSF_K",I6.6,".OUT")') ik
18open(50,file=trim(fname),form='FORMATTED')
19! write the GW spectral function
20do iw=1,nwplot
21 write(50,'(2G18.10)') wr(iw),sf(iw)
22end do
23write(50,*)
24! write the Kohn-Sham eigenvalues for reference
25do ist=1,nstsv
26 e=evalsv(ist,ik)-efermi
27 write(50,'(2G18.10)') e,0.d0
28 write(50,'(2G18.10)') e,1.d0/swidth
29 write(50,*)
30end do
31close(50)
32end subroutine
33
Definition modgw.f90:6
real(8) efermi
Definition modmain.f90:904
real(8) swidth
Definition modmain.f90:892
integer nstsv
Definition modmain.f90:886
real(8), dimension(:,:), allocatable evalsv
Definition modmain.f90:918
subroutine writegwsf(ik, wr, sf)
Definition writegwsf.f90:7