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