The Elk Code
Loading...
Searching...
No Matches
writeepsinv.f90
Go to the documentation of this file.
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
(*,ϵ⁻¹
'(" inverse RPA dielectric function, (G,G'
',q,w), written to &
32
&EPSINV.OUT")'
)
33
end if
34
end subroutine
35
epsinv
subroutine epsinv
Definition
epsinv.f90:7
genapwfr
subroutine genapwfr
Definition
genapwfr.f90:10
genlofr
subroutine genlofr
Definition
genlofr.f90:10
init0
subroutine init0
Definition
init0.f90:10
init1
subroutine init1
Definition
init1.f90:10
init2
subroutine init2
Definition
init2.f90:7
init3
subroutine init3
Definition
init3.f90:7
linengy
subroutine linengy
Definition
linengy.f90:10
modmain
Definition
modmain.f90:6
modmpi
Definition
modmpi.f90:6
modmpi::mp_mpi
logical mp_mpi
Definition
modmpi.f90:17
readevalsv
subroutine readevalsv
Definition
readevalsv.f90:7
readoccsv
subroutine readoccsv
Definition
readoccsv.f90:7
readstate
subroutine readstate
Definition
readstate.f90:10
writeepsinv
subroutine writeepsinv
Definition
writeepsinv.f90:7
writeepsinv.f90
Generated by
1.9.8