From 7a09e38472eae893eeef43b823b759d3f22c9f12 Mon Sep 17 00:00:00 2001
From: Antonio Manesco <am@antoniomanesco.org>
Date: Fri, 16 Feb 2024 12:45:42 +0100
Subject: [PATCH] shift Fermi level at the end
---
codes/interface.py | 3 +++
1 file changed, 3 insertions(+)
diff --git a/codes/interface.py b/codes/interface.py
index 77637b3..21c6edc 100644
--- a/codes/interface.py
+++ b/codes/interface.py
@@ -46,6 +46,9 @@ def find_groundstate_ham(
solver(model, optimizer, cost_function, optimizer_kwargs)
model.vectors=[*model.vectors, *model.tb_model.keys()]
assert np.allclose(model.mf_k - np.moveaxis(model.mf_k, -1, -2).conj(), 0, atol=1e-15)
+ vals, _ = np.linalg.eigh(model.hamiltonians_0 + model.mf_k)
+ EF = utils.get_fermi_energy(vals, filling)
+ model.mf_k -= EF * np.eye(model.hamiltonians_0.shape[-1])
if return_kspace:
return model.hamiltonians_0 + model.mf_k
else:
--
GitLab