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readbec.f90
Go to the documentation of this file.
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! Copyright (C) 2024 J. K. Dewhurst and S. Sharma.
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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
readbec
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use
modmain
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use
modphonon
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implicit none
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! local variables
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logical
exist
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integer
is,ia,ias,ip,jp
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character(256)
fext
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do
is=1,
nspecies
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do
ia=1,
natoms
(is)
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ias=
idxas
(ia,is)
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do
ip=1,3
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call
becfext
(is,ia,ip,fext)
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inquire
(file=
'BEC'
//trim(fext),exist=exist)
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if
(.not.exist)
then
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write
(*,*)
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write
(*,
'("Error(readbec): file not found :")'
)
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write
(*,
'(A)'
)
' BEC'
//trim(fext)
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write
(*,*)
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stop
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end if
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open
(50,file=
'BEC'
//trim(fext),status=
'OLD'
,form=
'FORMATTED'
)
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do
jp=1,3
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read
(50,*)
bec
(ip,jp,ias)
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end do
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close
(50)
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end do
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end do
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end do
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end subroutine
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becfext
subroutine becfext(is, ia, ip, fext)
Definition
becfext.f90:7
modmain
Definition
modmain.f90:6
modmain::natoms
integer, dimension(maxspecies) natoms
Definition
modmain.f90:36
modmain::idxas
integer, dimension(maxatoms, maxspecies) idxas
Definition
modmain.f90:42
modmain::nspecies
integer nspecies
Definition
modmain.f90:34
modphonon
Definition
modphonon.f90:6
modphonon::bec
real(8), dimension(:,:,:), allocatable bec
Definition
modphonon.f90:36
readbec
subroutine readbec
Definition
readbec.f90:7
readbec.f90
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