From 7c03848f7fd04c1526f4760dacd38b055d016aec Mon Sep 17 00:00:00 2001 From: Jusong Yu Date: Tue, 8 Oct 2024 13:41:28 +0200 Subject: [PATCH] Use GS for Fe --- src/aiida_sssp_workflow/statics/structures/mapping.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida_sssp_workflow/statics/structures/mapping.json b/src/aiida_sssp_workflow/statics/structures/mapping.json index 10aac52..7e03316 100644 --- a/src/aiida_sssp_workflow/statics/structures/mapping.json +++ b/src/aiida_sssp_workflow/statics/structures/mapping.json @@ -102,7 +102,7 @@ }, "Fe": { "band": "GS", - "convergence": "DC" + "convergence": "GS" }, "Co": { "band": "GS",