The Elk Code
writeepsinv.f90
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! Copyright (C) 2010 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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subroutine
writeepsinv
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use
modmain
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use
modmpi
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implicit none
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! initialise global variables
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call
init0
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call
init1
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call
init2
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call
init3
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! read density and potentials from file
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call
readstate
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! find the new linearisation energies
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call
linengy
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! generate the APW radial functions
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call
genapwfr
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! generate the local-orbital radial functions
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call
genlofr
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! read the eigenvalues and occupation numbers from file
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call
readevalsv
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call
readoccsv
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! generate the inverse dielectric function and write to file
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call
epsinv
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if
(
mp_mpi
)
then
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write
(*,*)
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write
(*,
'("Info(writeepsinv):")'
)
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write
(*,
'(" inverse RPA dielectric function, ϵ⁻¹(G,G'
',q,w), written to &
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&EPSINV.OUT")'
)
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end if
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end subroutine
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modmpi::mp_mpi
logical mp_mpi
Definition:
modmpi.f90:17
epsinv
subroutine epsinv
Definition:
epsinv.f90:7
genlofr
subroutine genlofr
Definition:
genlofr.f90:10
readoccsv
subroutine readoccsv
Definition:
readoccsv.f90:7
linengy
subroutine linengy
Definition:
linengy.f90:10
modmain
Definition:
modmain.f90:6
init3
subroutine init3
Definition:
init3.f90:7
init2
subroutine init2
Definition:
init2.f90:7
writeepsinv
subroutine writeepsinv
Definition:
writeepsinv.f90:7
init1
subroutine init1
Definition:
init1.f90:10
genapwfr
subroutine genapwfr
Definition:
genapwfr.f90:10
modmpi
Definition:
modmpi.f90:6
readstate
subroutine readstate
Definition:
readstate.f90:10
init0
subroutine init0
Definition:
init0.f90:10
readevalsv
subroutine readevalsv
Definition:
readevalsv.f90:7
writeepsinv.f90
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