!-----------------------------------------------------------------------------------------!
! 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 TEST
use type_inc, only: inc_type
use type_data, only: lattice_type, cluster_type, tgmatrx_type
use mod_read, only: read_inc, read_TBkkrdata
use mod_pointgrp, only: pointgrp
use mod_symmetries, only: rotate_kpoints
use mod_read, only: read_kpointsfile_int
use mod_symmetries, only: symmetries_type, set_symmetries, rotate_kpoints
use mod_mympi, only: mympi_init, myrank, nranks, master
#ifdef CPP_MPI
use mpi
#endif
implicit none
type(inc_type) :: inc
type(lattice_type) :: lattice
type(cluster_type) :: cluster
type(tgmatrx_type) :: tgmatrx
!symmetry arrays
integer :: nsym
integer, allocatable :: isym(:)
type(symmetries_type) :: symmetries
!local k-point arrays
integer :: nkpts
double precision, allocatable :: kpoints(:,:), areas(:), weights(:), fermivel(:,:)
!temp k-point arrays
integer :: nkpts1, nkpts2
double precision, allocatable :: areas1(:), weights1(:), kpoints1(:,:), fermivel1(:,:), temparr(:,:)
integer :: ierr, ii, itest
integer, parameter :: nFSiter=3
!initialize MPI
#ifdef CPP_MPI
call MPI_Init ( ierr )
#endif
call mympi_init()
call read_inc(inc)
call read_TBkkrdata(inc, lattice, cluster, tgmatrx)
call set_symmetries(inc, lattice, symmetries)
do itest=nFSiter,1,-1
write(*,*) 'itest=', itest
end do
!=============================!
!= Read in the k-point files =!
call read_kpointsfile_int(nkpts1, kpoints1, areas1, nsym, isym)
call rotate_kpoints(symmetries%rotmat, nkpts1, kpoints1, nsym, isym, nkpts, kpoints)
deallocate(isym, areas1, kpoints1)
if(myrank==master) write(*,'(A,3ES25.16)') 'kpoints-sum in old cart. system: ', sum(kpoints, dim=2)
call project_fermivel_newaxis(nkpts,kpoints)
if(myrank==master) write(*,'(A,3ES25.16)') 'kpoints-sum in new cart. system: ', sum(kpoints, dim=2)
#ifdef CPP_MPI
call MPI_Finalize( ierr )
#endif
contains
subroutine project_fermivel_newaxis(nkpts,fermivel)
implicit none
integer, intent(in) :: nkpts
double precision, intent(inout) :: fermivel(3,nkpts)
double precision :: fermivel_tmp(3,nkpts), n1(3), n2(3), n3(3)
integer :: ikp
n1=(/ 1d0, -1d0, 0d0 /)/sqrt(2d0)
n2=(/ 1d0, 1d0, -2d0 /)/sqrt(6d0)
n3=(/ 1d0, 1d0, 1d0 /)/sqrt(3d0)
fermivel_tmp = fermivel
do ikp=1,nkpts
fermivel(1,ikp) = sum(fermivel_tmp(:,ikp)*n1)
fermivel(2,ikp) = sum(fermivel_tmp(:,ikp)*n2)
fermivel(3,ikp) = sum(fermivel_tmp(:,ikp)*n3)
end do!ikp
end subroutine project_fermivel_newaxis
end program TEST
