writepmat.f90

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! Copyright (C) 2002-2005 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.
 
!BOP
! !ROUTINE: writepmat
! !INTERFACE:
subroutine writepmat
! !USES:
use modmain
use modmpi
use modramdisk
! !DESCRIPTION:
!   Calculates the momentum matrix elements using routine {\tt genpmat} and
!   writes them to direct access file {\tt PMAT.OUT}.
!
! !REVISION HISTORY:
!   Created November 2003 (Sharma)
!EOP
!BOC
implicit none
! ensure momentum matrix elements are written to disk
wrtdsk0=wrtdsk
wrtdsk=.true.
! initialise universal variables
call init0
call init1
! read in the density and potentials from file
call readstate
! find the new linearisation energies
call linengy
! generate the APW radial functions
call genapwfr
! generate the local-orbital radial functions
call genlofr
! write the momentum matrix elements in the second-variational basis to file
call genpmat
wrtdsk=wrtdsk0
if (mp_mpi) then
  write(*,*)
  write(*,'("Info(writepmat):")')
  write(*,'(" momentum matrix elements written to file PMAT.OUT")')
end if
end subroutine
!EOC