Commit 636bbe6a authored by Matthias Redies's avatar Matthias Redies

correct integration with r^2

parent 59b1c68f
......@@ -30,7 +30,7 @@ CONTAINS
TYPE(t_potden) :: integrand
TYPE(t_grid) :: is_inte_mut
INTEGER :: n
INTEGER :: n,i
call init_pw_grid(xcpot, stars, sym, cell)
call init_mt_grid(input%jspins, atoms, sphhar, xcpot, sym)
......@@ -47,6 +47,9 @@ CONTAINS
!put mt in potden-basis
do n = 1,atoms%ntype
call mt_from_grid(atoms,sphhar,n,input%jspins,mt_inte(n)%grid,integrand%mt(:,0:,n,:))
do i =1,atoms%jri(n)
integrand%mt(i,0:,n,:) = integrand%mt(i,0:,n,:) * atoms%rmsh(i,n)**2
enddo
enddo
! integrate my integrand
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment