Commit 51d239f8 authored by Matthias Redies's avatar Matthias Redies

remove debugging output

parent ba4d8193
......@@ -282,7 +282,7 @@ CONTAINS
#ifdef CPP_LIBXC
TYPE(xc_f03_func_info_t) :: xc_info
REAL :: excc(SIZE(exc))
REAL :: cut_ratio = 0.0
REAL :: cut_ratio = 0.1
INTEGER :: cut_idx
! tau = 0.5 * sum[|grad phi_i(r)|²]
......@@ -304,7 +304,6 @@ CONTAINS
exc=exc+excc
END IF
ELSEIF(xcpot%exc_is_MetaGGA()) THEN
write (*,*) "cut_ration Mgga = ", cut_ratio
IF(PRESENT(kinEnergyDen_KS)) THEN
cut_idx = NINT(size(rh,1) * cut_ratio)
! apply correction in eq (4) in https://doi.org/10.1063/1.1565316
......@@ -329,7 +328,6 @@ CONTAINS
TRANSPOSE(rh(:cut_idx,:)), &
grad%sigma(:,:cut_idx), &
exc(:cut_idx))
write (*,*) "max(exc)", maxval(abs(exc(:cut_idx))), maxval(abs(exc(cut_idx+1:)))
IF (xcpot%func_exc_id_c>0) THEN
!CALL xc_f03_mgga_exc(xcpot%exc_func_c, SIZE(rh,1), TRANSPOSE(rh), grad%sigma, &
......
......@@ -161,7 +161,6 @@
enddo
enddo
write (*,*) "set cut_mask", allocated(cut_mask)
IF(perform_MetaGGA) THEN
CALL mt_to_grid(xcpot, input%jspins, atoms, sphhar, EnergyDen%mt(:,0:,n,:), &
......
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