Using cold smearing for convergence test

aiidateam · Nov 26, 2024 · df27ff0 · df27ff0
1 parent f4aed10
commit df27ff0
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/aiida_sssp_workflow/protocol/convergence.yml b/src/aiida_sssp_workflow/protocol/convergence.yml
@@ -6,7 +6,7 @@ balanced:
     base:   # base parameters is inherit by other process
         occupations: smearing
         degauss: 0.02   # balanced protocol of qe -> gabriel
-        smearing: fd
+        smearing: cold
         conv_thr_per_atom: 1.0e-8
         kpoints_distance: 0.2  # balanced protocol of qe -> gabriel
         mixing_beta: 0.4