From 6ec2f99d7506ae1f8a4442c020f9dd7e85644061 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=C3=89tienne=20Polack?= <polack@hollved.net>
Date: Tue, 20 Feb 2024 14:57:57 +0100
Subject: [PATCH] fix for components
---
benchmark/regression/testcases.jl | 3 +--
1 file changed, 1 insertion(+), 2 deletions(-)
diff --git a/benchmark/regression/testcases.jl b/benchmark/regression/testcases.jl
index 62f07642b4..cc7c7ea8f9 100644
--- a/benchmark/regression/testcases.jl
+++ b/benchmark/regression/testcases.jl
@@ -39,8 +39,7 @@ end
n_electrons = testcase.n_electrons
n_bands = div(n_electrons, 2, RoundUp)
- ψ = [Matrix(qr(randn(ComplexF64, length(G_vectors(basis, kpt)), n_bands)).Q)
- for kpt in basis.kpoints]
+ ψ = [DFTK.random_orbitals(basis, kpt, n_bands) for kpt in basis.kpoints]
filled_occ = DFTK.filled_occupation(model)
occupation = [filled_occ * rand(n_bands) for _ = 1:length(basis.kpoints)]
occ_scaling = n_electrons / sum(sum(occupation))