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writefsm.f90
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1
2! Copyright (C) 2007 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine writefsm(fnum)
7use modmain
8implicit none
9! arguments
10integer, intent(in) :: fnum
11! local variables
12integer is,ia,ias
13write(fnum,*)
14if (any(abs(fsmtype) == [1,3,4,6])) then
15 write(fnum,'("FSM global effective field",T30,": ",3G18.10)') bfsmc(1:ndmag)
16end if
17if (any(abs(fsmtype) == [2,3,5,6])) then
18 write(fnum,'("FSM local muffin-tin effective fields :")')
19 do is=1,nspecies
20 write(fnum,'(" species : ",I4," (",A,")")') is,trim(spsymb(is))
21 do ia=1,natoms(is)
22 ias=idxas(ia,is)
23 write(fnum,'(" atom ",I4,T30,": ",3G18.10)') ia,bfsmcmt(1:ndmag,ias)
24 end do
25 end do
26end if
27end subroutine
28
integer, dimension(maxspecies) natoms
Definition modmain.f90:36
integer, dimension(maxatoms, maxspecies) idxas
Definition modmain.f90:42
integer fsmtype
Definition modmain.f90:251
real(8), dimension(:,:), allocatable bfsmcmt
Definition modmain.f90:263
real(8), dimension(3) bfsmc
Definition modmain.f90:257
character(64), dimension(maxspecies) spsymb
Definition modmain.f90:78
integer nspecies
Definition modmain.f90:34
integer ndmag
Definition modmain.f90:238
subroutine writefsm(fnum)
Definition writefsm.f90:7