The Elk Code
writegsvars.f90
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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
writegsvars
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use
modmain
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use
modvars
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implicit none
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call
writevars
(
'engytot'
,rv=
engytot
)
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call
writevars
(
'engyx'
,rv=
engyx
)
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call
writevars
(
'engyc'
,rv=
engyc
)
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call
writevars
(
'efermi'
,rv=
efermi
)
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call
writevars
(
'evalsum'
,rv=
evalsum
)
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call
writevars
(
'engykn'
,rv=
engykn
)
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call
writevars
(
'fermidos'
,rv=
fermidos
)
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call
writevars
(
'bandgap'
,nv=2,rva=
bandgap
)
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if
(
spinpol
)
then
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call
writevars
(
'momtot'
,nv=
ndmag
,rva=
momtot
)
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call
writevars
(
'momtotm'
,rv=
momtotm
)
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call
writevars
(
'mommt'
,nv=3*
natmtot
,rva=
mommt
)
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end if
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if
(
tforce
)
then
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call
writevars
(
'forcetot'
,nv=3*
natmtot
,rva=
forcetot
)
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end if
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end subroutine
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modmain::efermi
real(8) efermi
Definition:
modmain.f90:907
modmain::mommt
real(8), dimension(:,:), allocatable mommt
Definition:
modmain.f90:744
modmain::momtot
real(8), dimension(3) momtot
Definition:
modmain.f90:738
modmain::engyx
real(8) engyx
Definition:
modmain.f90:975
modmain::spinpol
logical spinpol
Definition:
modmain.f90:228
modmain::ndmag
integer ndmag
Definition:
modmain.f90:238
modmain::engykn
real(8) engykn
Definition:
modmain.f90:953
modmain::momtotm
real(8) momtotm
Definition:
modmain.f90:740
modmain::fermidos
real(8) fermidos
Definition:
modmain.f90:913
modmain::forcetot
real(8), dimension(:,:), allocatable forcetot
Definition:
modmain.f90:993
modmain::tforce
logical tforce
Definition:
modmain.f90:989
modvars
Definition:
modvars.f90:6
modmain
Definition:
modmain.f90:6
modmain::engytot
real(8) engytot
Definition:
modmain.f90:983
modmain::evalsum
real(8) evalsum
Definition:
modmain.f90:951
modmain::engyc
real(8) engyc
Definition:
modmain.f90:977
modmain::natmtot
integer natmtot
Definition:
modmain.f90:40
modmain::bandgap
real(8), dimension(2) bandgap
Definition:
modmain.f90:915
writegsvars
subroutine writegsvars
Definition:
writegsvars.f90:7
modvars::writevars
subroutine writevars(vname, n1, n2, n3, n4, n5, n6, nv, iv, iva, rv, rva, zv, zva, sv, sva)
Definition:
modvars.f90:16
writegsvars.f90
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