From 85c0f08e69d09bb2eef348dda716dc7d600544b2 Mon Sep 17 00:00:00 2001
From: singularitti <singularitti@outlook.com>
Date: Thu, 2 Nov 2023 03:50:57 -0400
Subject: [PATCH] Fix `ExtractData` in src/ConvergenceTestWorkflow/actions.jl

---
 src/ConvergenceTestWorkflow/actions.jl | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/ConvergenceTestWorkflow/actions.jl b/src/ConvergenceTestWorkflow/actions.jl
index 2b38fa2..ed7393f 100644
--- a/src/ConvergenceTestWorkflow/actions.jl
+++ b/src/ConvergenceTestWorkflow/actions.jl
@@ -19,7 +19,7 @@ function (::ExtractData)(file)
     preamble = tryparse(Preamble, str)
     energies = collect(eachconvergedenergy(str))
     if !isnothing(preamble) && !isempty(energies)
-        return preamble.ecutwfc * u"Ry" => last(energies) * u"Ry"  # volume, energy
+        return preamble.ecutwfc * u"Ry" => last(energies).total * u"Ry"  # volume, energy
     else
         throw(DataExtractionFailed("no data found in file $file."))
     end