From a48b9094617ccd143f4deb07394370a0acbef867 Mon Sep 17 00:00:00 2001
From: antoniolrm <am@antoniomanesco.org>
Date: Wed, 25 Oct 2023 00:12:23 +0200
Subject: [PATCH] function to parse kwant systems
---
codes/utils.py | 36 +++++++++++++++++++++++++++++++++++-
1 file changed, 35 insertions(+), 1 deletion(-)
diff --git a/codes/utils.py b/codes/utils.py
index ac68cda..65c27ae 100644
--- a/codes/utils.py
+++ b/codes/utils.py
@@ -60,6 +60,38 @@ def kwant2hk(syst, params={}, coordinate_names="xyz"):
return bloch_ham
+def builder2tb_model(builder):
+ from copy import copy
+
+ builder = copy(bulk_graphene)
+
+ tb_model = {}
+ sites_list = [*builder.sites()]
+ norbs_list = [site[0].norbs for site in builder.sites()]
+ norbs_tot = sum(norbs_list)
+ for hop, val in builder.hopping_value_pairs():
+ a, b = hop
+ print(a.pos, b.pos)
+ b_dom = builder.symmetry.which(b)
+ b_fd = builder.symmetry.to_fd(b)
+ atoms = np.array([sites_list.index(a), sites_list.index(b_fd)])
+ row, col = [
+ np.sum(norbs_list[: atoms[0]]) + range(norbs_list[atoms[0]]),
+ np.sum(norbs_list[: atoms[1]]) + range(norbs_list[atoms[1]]),
+ ]
+ row, col = np.array([*product(row, col)]).T
+ data = val.flatten()
+ if tuple(b_dom) in tb_model:
+ tb_model[tuple(b_dom)] += coo_array(
+ (data, (row, col)), shape=(norbs_tot, norbs_tot)
+ ).toarray()
+ else:
+ tb_model[tuple(b_dom)] = coo_array(
+ (data, (row, col)), shape=(norbs_tot, norbs_tot)
+ ).toarray()
+ return tb_model
+
+
def dict2hk(tb_dict):
"""
Build Bloch Hamiltonian.
@@ -72,10 +104,12 @@ def dict2hk(tb_dict):
"""
def bloch_ham(k):
- return sum(
+ ham = sum(
tb_dict[vector] * np.exp(1j * np.dot(k, np.array(vector)))
for vector in tb_dict.keys()
)
+ # ham += ham.T.conj()
+ return ham
return bloch_ham
--
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