Commit 23f2a034 authored by Matthias Redies's avatar Matthias Redies

keep the checker for now

parent 271b812d
......@@ -36,9 +36,11 @@ contains
integer :: iatom, itype, ieq, indx, i, j, idum, iop, l, ll, lm, m
integer :: map_lo(atoms%nlod)
complex :: cdum
complex :: cdum, cmt_comp(input%neig, hybdat%maxlmindx, atoms%nat)
type(t_lapw) :: lapw_ik, lapw_ikp
real :: diff
call timestart("calc_cmt")
ikp = kpts%bkp(ik)
......@@ -105,8 +107,6 @@ contains
END DO
END DO
! write cmt at irreducible k-points in direct-access file cmt
if(ik <= kpts%nkpt) then
cmt_out = cmt
......@@ -116,6 +116,17 @@ contains
call waveftrafo_gen_cmt(cmt, c_phase, zmat_ikp%l_real, ikp, iop, atoms, &
mpdata, hybinp, kpts, sym, nbands, cmt_out)
endif
call read_cmt(cmt_comp, ik)
write (*,*) "%%%%%%%%%%%%%%%%%%%%%%%"
write (*,*) "ik =", ik
write (*,*) "ikp =", ikp
write (*,*) "jsp =", jsp
diff = norm2(abs(cmt_out - cmt_comp(:hybdat%nbands(ik),:,:)))
write (*,*) "diff = ", diff
if(diff > 1e-10) then
call juDFT_error("diff too big!")
endif
call timestop("calc_cmt")
end subroutine calc_cmt
end module m_calc_cmt
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