Stop calculation if nl-vdW functionals are requested for Energy Corre…

…ction (#3278)
cp2k · Feb 22, 2024 · 9fa292d · 9fa292d
1 parent 47690d8
commit 9fa292d
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/ec_environment.F b/src/ec_environment.F
@@ -323,6 +323,7 @@ SUBROUTINE init_ec_env(qs_env, ec_env, dft_section, ec_section)
             pp_section => section_vals_get_subs_vals(xc_section, "VDW_POTENTIAL%PAIR_POTENTIAL")
             CALL qs_dispersion_pairpot_init(atomic_kind_set, qs_kind_set, dispersion_env, pp_section, para_env)
          ELSE IF (dispersion_env%type == xc_vdw_fun_nonloc) THEN
+            CPABORT("nl-vdW functionals not available for EC calculations")
             NULLIFY (nl_section)
             nl_section => section_vals_get_subs_vals(xc_section, "VDW_POTENTIAL%NON_LOCAL")
             CALL qs_dispersion_nonloc_init(dispersion_env, para_env)