File: curdenplot.f90

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! Copyright (C) 2018 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 curdenplot
use modmain
use modmpi
implicit none
! local variables
integer ik
! allocatable arrays
real(8), allocatable :: rvfmt(:,:,:),rvfir(:,:)
! initialise universal variables
call init0
call init1
! read density and potentials from file
call readstate
! generate the core wavefunctions and densities
call gencore
! read Fermi energy from file
call readfermi
! find the new linearisation energies
call linengy
! generate the APW radial functions
call genapwfr
! generate the local-orbital radial functions
call genlofr
! get the occupancies from file
do ik=1,nkpt
  call getoccsv(filext,ik,vkl(:,ik),occsv(:,ik))
end do
! compute the current density
call curden(afieldc)
! plot the current density (master process only)
if (mp_mpi) then
  write(*,*)
  write(*,'("Info(curdenplot):")')
  select case(task)
  case(372)
    allocate(rvfmt(npmtmax,natmtot,3),rvfir(ngtot,3))
    rvfmt(:,:,:)=cdmt(:,:,:)
    rvfir(:,:)=cdir(:,:)
    call proj2d(rvfmt,rvfir)
    open(50,file='CURDEN2D.OUT',form='FORMATTED')
    call plot2d(50,3,rvfmt,rvfir)
    close(50)
    deallocate(rvfmt,rvfir)
    write(*,'(" 2D current density written to CURDEN2D.OUT")')
  case(373)
    open(50,file='CURDEN3D.OUT',form='FORMATTED')
    call plot3d(50,3,cdmt,cdir)
    close(50)
    write(*,'(" 3D current density written to CURDEN3D.OUT")')
  end select
end if
return
end subroutine