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writedvs.f90
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! Copyright (C) 2008 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
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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
writedvs
(fext)
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use
modmain
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use
modphonon
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implicit none
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! arguments
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character(*)
,
intent(in)
:: fext
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! local variables
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integer
is,ias
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! allocatable arrays
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complex(8)
,
allocatable
:: zfmt(:,:,:)
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allocate
(zfmt(
lmmaxo
,
nrmtmax
,
natmtot
))
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open
(150,file=
'DVS'
//trim(fext),form=
'UNFORMATTED'
,action=
'WRITE'
)
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write
(150)
version
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write
(150)
nspecies
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write
(150)
lmmaxo
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do
is=1,
nspecies
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write
(150)
natoms
(is)
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write
(150)
nrmt
(is)
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end do
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write
(150)
ngridg
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do
ias=1,
natmtot
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is=
idxis
(ias)
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call
zfmtpack
(.false.,
nrmt
(is),
nrmti
(is),
dvsmt
(:,ias),zfmt(:,:,ias))
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end do
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write
(150) zfmt,
dvsir
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close
(150)
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deallocate
(zfmt)
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end subroutine
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modmain
Definition
modmain.f90:6
modmain::nrmti
integer, dimension(maxspecies) nrmti
Definition
modmain.f90:211
modmain::ngridg
integer, dimension(3) ngridg
Definition
modmain.f90:386
modmain::nrmt
integer, dimension(maxspecies) nrmt
Definition
modmain.f90:150
modmain::natoms
integer, dimension(maxspecies) natoms
Definition
modmain.f90:36
modmain::idxis
integer, dimension(maxatoms *maxspecies) idxis
Definition
modmain.f90:44
modmain::natmtot
integer natmtot
Definition
modmain.f90:40
modmain::version
integer, dimension(3), parameter version
Definition
modmain.f90:1288
modmain::nrmtmax
integer nrmtmax
Definition
modmain.f90:152
modmain::lmmaxo
integer lmmaxo
Definition
modmain.f90:203
modmain::nspecies
integer nspecies
Definition
modmain.f90:34
modphonon
Definition
modphonon.f90:6
modphonon::dvsir
complex(8), dimension(:), allocatable dvsir
Definition
modphonon.f90:110
modphonon::dvsmt
complex(8), dimension(:,:), pointer, contiguous dvsmt
Definition
modphonon.f90:108
writedvs
subroutine writedvs(fext)
Definition
writedvs.f90:7
zfmtpack
pure subroutine zfmtpack(tpack, nr, nri, zfmt1, zfmt2)
Definition
zfmtpack.f90:7
writedvs.f90
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