From eec49146a2a9901a4f54d23308102341e3fcac5a Mon Sep 17 00:00:00 2001
From: Johanna <johanna@zijderveld.de>
Date: Mon, 15 Apr 2024 15:02:29 +0200
Subject: [PATCH] Allow user k-array as input to tb_to_khamvector function
---
codes/tb/transforms.py | 12 ++++++++----
1 file changed, 8 insertions(+), 4 deletions(-)
diff --git a/codes/tb/transforms.py b/codes/tb/transforms.py
index 3069681..1982c6d 100644
--- a/codes/tb/transforms.py
+++ b/codes/tb/transforms.py
@@ -3,7 +3,7 @@ from scipy.fftpack import ifftn
import itertools as it
-def tb_to_khamvector(tb, nk, ndim):
+def tb_to_khamvector(tb, nk, ndim, ks=None):
"""
Real-space tight-binding model to hamiltonian on k-space grid.
@@ -22,9 +22,9 @@ def tb_to_khamvector(tb, nk, ndim):
Hamiltonian evaluated on a k-point grid.
"""
-
- ks = np.linspace(-np.pi, np.pi, nk, endpoint=False)
- ks = np.concatenate((ks[nk // 2 :], ks[: nk // 2]), axis=0) # shift for ifft
+ if ks is None:
+ ks = np.linspace(-np.pi, np.pi, nk, endpoint=False)
+ ks = np.concatenate((ks[nk // 2 :], ks[: nk // 2]), axis=0) # shift for ifft
kgrid = np.meshgrid(*([ks] * ndim), indexing="ij")
num_keys = len(list(tb.keys()))
@@ -53,6 +53,10 @@ def tb_to_kfunc(tb):
-------
function
A function that takes a k-space vector and returns a complex np.array.
+
+ Notes
+ -----
+ Function doesn't work for all dimensions
"""
def kfunc(k):
--
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