write_gflle_to_npy Subroutine

public subroutine write_gflle_to_npy(lmmaxd, ielast, nqdos, i1, gflle)

Uses

    • mod_datatypes
    • m_npy

Creates one file per atom and energy, otherwise file can be very large which might be problematic in post-processing

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: lmmaxd
integer, intent(in) :: ielast
integer, intent(in) :: nqdos
integer, intent(in) :: i1
complex(kind=dp) :: gflle(lmmaxd,lmmaxd,ielast,nqdos)