From 066b86936bf4a682ae5fd1a292dde3c332a0faad Mon Sep 17 00:00:00 2001 From: lbluque Date: Fri, 28 Mar 2025 11:02:19 -0600 Subject: [PATCH] remove relax_cell=True from initial relaxation --- src/quacc/recipes/common/elastic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/quacc/recipes/common/elastic.py b/src/quacc/recipes/common/elastic.py index 042b85bab8..c686ffd62c 100644 --- a/src/quacc/recipes/common/elastic.py +++ b/src/quacc/recipes/common/elastic.py @@ -58,7 +58,7 @@ def elastic_tensor_flow( See the return type-hint for the data structure. """ if pre_relax: - undeformed_result = relax_job(atoms, relax_cell=True) + undeformed_result = relax_job(atoms) if run_static: undeformed_result = static_job(undeformed_result["atoms"]) else: