symmetry.f90

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! Copyright (C) 2013 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.
 
subroutine symmetry
use modmain
use modvars
implicit none
! inverse of the lattice vector matrix
call r3minv(avec,ainv)
! find Bravais lattice symmetries
call findsymlat
! use only the identity if required
if (symtype == 0) nsymlat=1
! find the crystal symmetries and shift atomic positions if required
call findsymcrys
! find the site symmetries
call findsymsite
! check if fixed spin moments are invariant under the symmetry group
call checkfsm
! check if real symmetric first-variational eigen solver can be used
if (.not.tsyminv) tefvr=.false.
! write to VARIABLES.OUT
if (wrtvars) then
  call writevars('nsymlat',iv=nsymlat)
  call writevars('symlat',nv=9*nsymlat,iva=symlat)
  call writevars('nsymcrys',iv=nsymcrys)
  call writevars('vtlsymc',nv=3*nsymcrys,rva=vtlsymc)
  call writevars('lsplsymc',nv=nsymcrys,iva=lsplsymc)
  call writevars('lspnsymc',nv=nsymcrys,iva=lspnsymc)
end if
end subroutine