feat: add methfessel-paxton smearing as option to pw_scf

Exabyte-io · Oct 22, 2023 · dd252ca · dd252ca
1 parent ecab407
commit dd252ca
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/methods/espresso/5.2.1.yml b/methods/espresso/5.2.1.yml
@@ -5,6 +5,7 @@ Default:
     pw_scf:
       - path: /qm/wf/none/pw/none
       - path: /qm/wf/none/smearing/gaussian
+      - path: /qm/wf/none/smearing/methfessel-paxton
       - regex: \/qm\/wf\/none\/psp\/(nc|us|paw)
       - path: /linalg/diag/none/davidson/none
 #      - regex: \/qm\/wf\/none\/tetrahedron\/.*