!-----------------------------------------------------------------------------------------!
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany !
! This file is part of kk-prime@juKKR and available as free software under the conditions !
! of the MIT license as expressed in the LICENSE file in more detail. !
!-----------------------------------------------------------------------------------------!
program sxydiff
use mod_read, only: read_kpointsfile_vis
use mod_pointgrp, only: pointgrp
use mod_symmetries, only: rotate_kpoints
use mod_parutils, only: parallel_quicksort
use mod_mympi, only: mympi_init, myrank, nranks, master
use mpi
implicit none
integer :: nkpts1, nkpts
integer, allocatable :: sortindex(:)
double precision, allocatable :: kpoints1(:,:), kpoints(:,:), values(:)
integer :: nsym
integer, allocatable :: isym(:)
double precision :: rotmat(64,3,3)
character(len=10) :: rotname(64)
integer :: ierr, ii
double precision :: bounds(3)
!initialize MPI
call MPI_Init ( ierr )
call mympi_init()
call pointgrp(rotmat,rotname)
call read_kpointsfile_vis(nkpts1, kpoints1, nsym, isym)
call rotate_kpoints(rotmat, nkpts1, kpoints1, nsym, isym, nkpts, kpoints)
do ii=1,3
bounds(ii) = minval(kpoints(ii,:))
end do
allocate(values(nkpts), sortindex(nkpts), STAT=ierr)
if(ierr/=0) stop 'Problem allocating values'
values = 1d0*(kpoints(1,:)-bounds(1)) + 3d0*(kpoints(2,:)-bounds(1)) + 5d0*(kpoints(3,:)-bounds(1))
if(myrank==master) write(*,*) 'start'
call parallel_quicksort(nranks, myrank, master, nkpts, values, sortindex)
if(myrank==master) write(*,*) 'stop'
call MPI_Finalize(ierr)
end program sxydiff
