emdplot.f90

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! Copyright (C) 2014 D. Ernsting, S. Dugdale and J. K. Dewhurst.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.

subroutine emdplot
use modmain
use modpw
implicit none
! allocatable arrays
real(4), allocatable :: emds(:,:)
if (any(abs(vkloff(:)) > epslat)) then
  write(*,*)
  write(*,'("Error(emdplot): use vkloff = 0 for the ground-state run")')
  write(*,*)
  stop
end if
! initialise universal variables
call init0
call init1
call init4
! read in the electron momentum density
allocate(emds(nhkmax,nkpt))
call reademd(emds)
! write the density plot to file
select case(task)
case(171)
  call emdplot1d(emds)
  write(*,*)
  write(*,'("Info(emdplot): 1D electron momentum density written to &
   &EMD1D.OUT")')
case(172)
  call emdplot2d(emds)
  write(*,*)
  write(*,'("Info(emdplot): 2D electron momentum density written to &
   &EMD2D.OUT")')
case(173)
  call emdplot3d(emds)
  write(*,*)
  write(*,'("Info(emdplot): 3D electron momentum density written to &
   &EMD3D.OUT")')
end select
deallocate(emds)
end subroutine