RI_HFX| fix RI_FLAVOR test with smearing

cp2k · Jul 13, 2022 · 30cb227 · 30cb227
1 parent bc645f8
commit 30cb227
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/hfx_types.F b/src/hfx_types.F
@@ -1059,7 +1059,7 @@ SUBROUTINE hfx_ri_init_read_input_from_hfx(ri_data, x_data, hfx_section, ri_sect
                                   orb_basis_type, ri_basis_type, para_env, unit_nr, unit_nr_dbcsr, &
                                   nelectron_total, t_c_filename=t_c_filename)
 
-      IF (dft_control%smear) THEN
+      IF (dft_control%smear .AND. ri_data%flavor == ri_mo) THEN
          CPABORT("RI_FLAVOR MO is not consistent with smearing. Please use RI_FLAVOR RHO.")
       END IF