The Elk Code
writetm.f90
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! Copyright (C) 2009 F. Bultmark, F. Cricchio and L. Nordstrom.
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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
writetm
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use
modmain
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use
moddftu
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implicit none
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if
(
dftu
== 0)
then
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write
(*,*)
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write
(*,
'("Error(writetmdu): dftu = 0")'
)
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write
(*,*)
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stop
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end if
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! initialize universal variables
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call
init0
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call
init1
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! read the potential from file
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call
readstate
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! read density matrix from file DMATMT.OUT
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call
readdmatmt
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! generate the DFT+U muffin-tin potential matrices
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call
genvmatmt
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! write tensor moments to TENSMOM.OUT file
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call
writetm3
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write
(*,*)
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write
(*,
'("Info(writetm): tensor moment decomposition of density matrix")'
)
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write
(*,
'(" in the spherical basis written to TENSMOM.OUT")'
)
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end subroutine
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moddftu
Definition:
moddftu.f90:6
modmain
Definition:
modmain.f90:6
writetm3
subroutine writetm3
Definition:
writetm3.f90:10
writetm
subroutine writetm
Definition:
writetm.f90:7
init1
subroutine init1
Definition:
init1.f90:10
moddftu::dftu
integer dftu
Definition:
moddftu.f90:32
readstate
subroutine readstate
Definition:
readstate.f90:10
init0
subroutine init0
Definition:
init0.f90:10
genvmatmt
subroutine genvmatmt
Definition:
genvmatmt.f90:10
readdmatmt
subroutine readdmatmt
Definition:
readdmatmt.f90:7
writetm.f90
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