From 05fe3b407c33a926235d5383bba23834898918ae Mon Sep 17 00:00:00 2001
From: "Michael F. Herbst" <info@michael-herbst.com>
Date: Sat, 30 Nov 2024 22:50:29 +0100
Subject: [PATCH] DFTKCalculator show

---
 src/elements.jl | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/elements.jl b/src/elements.jl
index e5b702085..908414e57 100644
--- a/src/elements.jl
+++ b/src/elements.jl
@@ -84,8 +84,8 @@ local_potential_real(el::ElementCoulomb, r::Real) = -el.Z / r
 struct ElementPsp <: Element
     Z::Int         # Nuclear charge
     symbol::Symbol # Element symbol
-    psp            # Pseudopotential data structure
     mass           # Atomic mass
+    psp            # Pseudopotential data structure
 end
 function Base.show(io::IO, el::ElementPsp)
     pspid = isempty(el.psp.identifier) ? "custom" : el.psp.identifier
@@ -130,7 +130,7 @@ function ElementPsp(symbol::Symbol, family::AbstractDict; mass=element(symbol).a
 end
 function ElementPsp(symbol::Symbol, psp; mass=element(symbol).atomic_mass)
     Z = periodic_table[symbol].number
-    ElementPsp(Z, symbol, psp, mass)
+    ElementPsp(Z, symbol, mass, psp)
 end
 ElementPsp(symbol::Symbol, psp::Nothing; kwargs...) = ElementCoulomb(symbol; kwargs...)
 ElementPsp(key, psp; kwargs...) = ElementPsp(Symbol(periodic_table[key].symbol), psp; kwargs...)