The Elk Code
Loading...
Searching...
No Matches
writemomtd.f90
Go to the documentation of this file.
1
2
! Copyright (C) 2023 J. K. Dewhurst and S. Sharma.
3
! This file is distributed under the terms of the GNU General Public License.
4
! See the file COPYING for license details.
5
6
subroutine
writemomtd
7
use
modmain
8
use
modtddft
9
implicit none
10
! local variables
11
integer
is,ia,ias
12
! write the total spin moment
13
open
(50,file=
'MOMENT_TD.OUT'
,form=
'FORMATTED'
,position=
'APPEND'
)
14
write
(50,
'(4G18.10)'
)
times
(
itimes
),
momtot
(1:
ndmag
)
15
close
(50)
16
! write the total spin moment magnitude
17
open
(50,file=
'MOMENTM_TD.OUT'
,form=
'FORMATTED'
,position=
'APPEND'
)
18
write
(50,
'(2G18.10)'
)
times
(
itimes
),
momtotm
19
close
(50)
20
! write muffin-tin moments
21
open
(50,file=
'MOMENTMT_TD.OUT'
,form=
'FORMATTED'
,position=
'APPEND'
)
22
write
(50,
'(G18.10)'
)
times
(
itimes
)
23
do
is=1,
nspecies
24
do
ia=1,
natoms
(is)
25
ias=
idxas
(ia,is)
26
write
(50,
'(2I4,3G18.10)'
) is,ia,
mommt
(1:
ndmag
,ias)
27
end do
28
end do
29
write
(50,*)
30
close
(50)
31
! write interstitial moment
32
open
(50,file=
'MOMENTIR_TD.OUT'
,form=
'FORMATTED'
,position=
'APPEND'
)
33
write
(50,
'(4G18.10)'
)
times
(
itimes
),
momir
(1:
ndmag
)
34
close
(50)
35
end subroutine
36
modmain
Definition
modmain.f90:6
modmain::natoms
integer, dimension(maxspecies) natoms
Definition
modmain.f90:36
modmain::mommt
real(8), dimension(:,:), allocatable mommt
Definition
modmain.f90:744
modmain::idxas
integer, dimension(maxatoms, maxspecies) idxas
Definition
modmain.f90:42
modmain::momir
real(8), dimension(3) momir
Definition
modmain.f90:742
modmain::momtot
real(8), dimension(3) momtot
Definition
modmain.f90:738
modmain::momtotm
real(8) momtotm
Definition
modmain.f90:740
modmain::nspecies
integer nspecies
Definition
modmain.f90:34
modmain::ndmag
integer ndmag
Definition
modmain.f90:238
modtddft
Definition
modtddft.f90:6
modtddft::times
real(8), dimension(:), allocatable times
Definition
modtddft.f90:48
modtddft::itimes
integer itimes
Definition
modtddft.f90:46
writemomtd
subroutine writemomtd
Definition
writemomtd.f90:7
writemomtd.f90
Generated by
1.9.8