The Elk Code
writeepsinv.f90
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1 
2 ! Copyright (C) 2010 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 
6 subroutine writeepsinv
7 use modmain
8 use modmpi
9 implicit none
10 ! initialise global variables
11 call init0
12 call init1
13 call init2
14 call init3
15 ! read density and potentials from file
16 call readstate
17 ! find the new linearisation energies
18 call linengy
19 ! generate the APW radial functions
20 call genapwfr
21 ! generate the local-orbital radial functions
22 call genlofr
23 ! read the eigenvalues and occupation numbers from file
24 call readevalsv
25 call readoccsv
26 ! generate the inverse dielectric function and write to file
27 call epsinv
28 if (mp_mpi) then
29  write(*,*)
30  write(*,'("Info(writeepsinv):")')
31  write(*,'(" inverse RPA dielectric function, ϵ⁻¹(G,G'',q,w), written to &
32  &EPSINV.OUT")')
33 end if
34 end subroutine
35 
logical mp_mpi
Definition: modmpi.f90:17
subroutine epsinv
Definition: epsinv.f90:7
subroutine genlofr
Definition: genlofr.f90:10
subroutine readoccsv
Definition: readoccsv.f90:7
subroutine linengy
Definition: linengy.f90:10
subroutine init3
Definition: init3.f90:7
subroutine init2
Definition: init2.f90:7
subroutine writeepsinv
Definition: writeepsinv.f90:7
subroutine init1
Definition: init1.f90:10
subroutine genapwfr
Definition: genapwfr.f90:10
Definition: modmpi.f90:6
subroutine readstate
Definition: readstate.f90:10
subroutine init0
Definition: init0.f90:10
subroutine readevalsv
Definition: readevalsv.f90:7