!-----------------------------------------------------------------------------------------!
! Copyright (c) 2018 Peter Grünberg Institut, Forschungszentrum Jülich, Germany !
! This file is part of Jülich KKR code and available as free software under the conditions!
! of the MIT license as expressed in the LICENSE.md file in more detail. !
!-----------------------------------------------------------------------------------------!
!-------------------------------------------------------------------------------
!> Summary: Dummy version of `main1a` which is used to test the `tmat_newsolver`
!> Author: Philipp Ruessmann
!> Category: unit-test, KKRhost
!> Deprecated: False
!> Dummy version of `main1a` which is used to test the `tmat_newsolver`
!-------------------------------------------------------------------------------
subroutine main1a_dummy
use :: mod_profiling, only: memocc
use :: mod_constants, only:
use :: global_variables, only: nrmaxd, lmpotd, nspotd, iemxd, ncleb, ntotd, mmaxd, nspind, natypd
use :: mod_datatypes, only: dp
use :: mod_types, only: t_tgmat, t_inc, t_lloyd, t_dtmatjij, init_t_dtmatjij, init_t_dtmatjij_at
use :: mod_mympi, only: nranks, master, myrank
use :: mod_timing, only:
use :: mod_wunfiles, only:
use :: mod_jijhelp, only: set_jijcalc_flags
use :: mod_tmatnewsolver, only: tmat_newsolver
use :: mod_main0, only: ielast, natyp, nspin, lmax, nsra, iend, lly, deltae, idoldau, ncheb, cleb, icleb, ez, npan_tot, &
lopt, ipan_intervall, zat, socscale, rnew, rpan_intervall, wldau
use :: mod_ioinput, only: ioinput
use :: mod_runoptions, only:write_BdG_tests
implicit none
! .. Local variables
integer :: i1
integer :: ipot
integer :: iltmp
integer :: ispin
integer :: itmpdir
character (len=80) :: tmpdir
logical :: lrefsys
integer :: lrectmt
integer :: lrectra
! .. Local arrays
real (kind=dp), dimension (natypd) :: phi
real (kind=dp), dimension (natypd) :: theta
real (kind=dp), dimension (:, :, :), allocatable :: vinsnew
integer :: i1_run, i1_start, i1_end, ierr, i_stat, i_all
! for data import:
character (len=25) :: dummy
integer :: ier
character (len=:), allocatable :: uio ! NCOLIO=256
! BdG specific:
logical :: use_bdg
complex (kind=dp) :: delta_bdg
! ================
! start read-in
write (*, *) 'start reading BdG-inputs from inputcard ...'
call ioinput('use_BdG ', uio, 1, 7, ier)
if (ier==0) then
read (unit=uio, fmt=*) use_bdg
write (*, *) 'use_BdG= ', use_bdg
else
stop '[main1a_dummy] error "use_BdG" not found in inputcard'
end if
call ioinput('delta_BdG ', uio, 1, 7, ier)
if (ier==0) then
read (unit=uio, fmt=*) delta_bdg
write (*, *) 'delta_BdG= ', delta_bdg
else
stop '[main1a_dummy] error "delta_BdG" not found in inputcard'
end if
! end read-in
! ================
write (*, *) 'now read atom-specific input for tmat_newsolver'
allocate (vinsnew(nrmaxd,lmpotd,nspotd), stat=i_stat)
call memocc(i_stat, product(shape(vinsnew))*kind(vinsnew), 'VINSNEW', 'main1a')
vinsnew = 0.0d0
i1_start = 1
i1_end = natyp
do i1_run = i1_start, i1_end
if (write_BdG_tests) then
! read out inputs for tmat_newsolver to extract first BdG
if (nranks>1) stop 'test option BdG_dev can only be used in serial!'
if (i1_run==1) open (887766, file='BdG_tmat_inputs.txt', form='formatted')
if (i1_run==1) then
read (887766, *) dummy
read (887766, *)
read (887766, *) dummy, ielast
read (887766, *) dummy, nspin
read (887766, *) dummy, lmax
read (887766, *) dummy, nsra
read (887766, *) dummy, iend
read (887766, *) dummy, lmpotd
read (887766, *) dummy, lly
read (887766, '(A,2ES21.9)') dummy, deltae
read (887766, *) dummy, idoldau
read (887766, *) dummy, ncleb
read (887766, *) dummy, ncheb
read (887766, *) dummy, ntotd
read (887766, *) dummy, mmaxd
read (887766, *) dummy, nspind
read (887766, *) dummy, iemxd
read (887766, *) dummy, nrmaxd
read (887766, *) dummy, nspotd
read (887766, *) dummy
read (887766, *) cleb(:, 1)
read (887766, *) dummy
read (887766, *) icleb(:, :)
read (887766, *) dummy
read (887766, '(2ES21.9)') ez
read (887766, *)
read (887766, *) dummy
read (887766, *)
end if
read (887766, *) dummy, i1
read (887766, *) dummy, ipot
read (887766, *) dummy, npan_tot(i1)
read (887766, *) dummy, lopt(i1)
read (887766, *) dummy, ipan_intervall(:, i1)
read (887766, *) dummy, zat(i1)
read (887766, *) dummy, phi(i1)
read (887766, *) dummy, theta(i1)
read (887766, *) dummy, socscale(i1)
read (887766, *) dummy, rnew(:, i1)
read (887766, *) dummy, rpan_intervall(:, i1)
read (887766, *) dummy, wldau(:, :, :, i1)
read (887766, *) dummy, vinsnew
read (887766, *)
if (i1==i1_end) then
close (887766)
write (*, *) 'done reading tmat_newsolver input of test option BdG_dev'
end if
end if
write (*, *) 'start tmat_newsolver ...'
call init_t_dtmatjij(t_inc, t_dtmatjij)
call tmat_newsolver(ielast, nspin, lmax, zat(i1), socscale(i1), ez, nsra, cleb(:,1), icleb, iend, ncheb, npan_tot(i1), rpan_intervall(:,i1), ipan_intervall(:,i1), rnew(:,i1), &
vinsnew, theta(i1), phi(i1), i1, ipot, lmpotd, lly, deltae, idoldau, lopt(i1), wldau(:,:,:,i1), t_dtmatjij(i1), 1)
end do ! I1, atom loop
end subroutine main1a_dummy
