module mod_write_gflle
implicit none
contains
!-------------------------------------------------------------------------------
!> Summary: Write gflle file out in npy format
!> Author: Philipp Rüßmann
!> Category: writeout
!> Deprecated: False
!> Creates one file per atom and energy, otherwise file can be very large which
!> might be problematic in post-processing
!-------------------------------------------------------------------------------
subroutine write_gflle_to_npy(lmmaxd, ielast, nqdos, i1, gflle)
use mod_datatypes, only: dp
use m_npy, only: save_npy
implicit none
integer, intent(in) :: lmmaxd, ielast, nqdos, i1
complex (kind=dp) :: gflle(lmmaxd,lmmaxd,ielast,nqdos)
character (len=100) :: filename
integer :: ie
do ie = 1, ielast
write(filename, "(A,1I0.3,A,1I0.3,A)") "gllke.", I1, ".", IE, ".npy"
call save_npy(trim(filename), gflle(:,:,ie, :))
end do
end subroutine write_gflle_to_npy
end module mod_write_gflle
