From 0e4871c1eb95ea2f5e09770f9cd231095c586655 Mon Sep 17 00:00:00 2001
From: Kostas Vilkelis <kostasvilkelis@gmail.com>
Date: Fri, 23 Feb 2024 01:48:50 +0100
Subject: [PATCH] evaluate mfModels on a kgrid
---
codes/model.py | 17 ++++++++++-------
codes/utils.py | 20 ++++++++++++++++++++
2 files changed, 30 insertions(+), 7 deletions(-)
diff --git a/codes/model.py b/codes/model.py
index 379ce4e..95dfb2b 100644
--- a/codes/model.py
+++ b/codes/model.py
@@ -1,6 +1,6 @@
-from . import utils
+from . import utils, hf
import numpy as np
-import hf
+
class BaseMfModel:
"""
@@ -15,7 +15,7 @@ class BaseMfModel:
Interaction potential V(k) evaluated on a k-point grid.
filling : float
Filling factor of the system.
-
+
Methods
-------
densityMatrix(mf_k)
@@ -24,6 +24,7 @@ class BaseMfModel:
meanField(rho)
Calculates the mean-field correction from a given density matrix.
"""
+
def __init__(self, H0_k, V_k, filling):
"""
Parameters
@@ -45,7 +46,7 @@ class BaseMfModel:
----------
mf_k : nd-array
Mean-field correction to the non-interacting hamiltonian.
-
+
Returns
-------
rho : nd-array
@@ -70,13 +71,15 @@ class BaseMfModel:
"""
return hf.compute_mf(rho, self.V_k)
+
class MfModel(BaseMfModel):
"""
BaseMfModel with the non-interacting hamiltonian and the interaction
potential given as tight-binding models.
+ The model is defined on a regular k-point grid.
"""
- def __init__(self, tb_model, filling, int_model):
+ def __init__(self, tb_model, int_model, filling, nk=100):
"""
Parameters
----------
@@ -91,8 +94,8 @@ class MfModel(BaseMfModel):
self.filling = filling
dim = len([*tb_model.keys()][0])
if dim > 0:
- self.H0_k = utils.model2hk(tb_model=tb_model)
- self.V_k = utils.model2hk(tb_model=int_model)
+ self.H0_k = utils.tb2grid(tb_model, nk=nk)
+ self.V_k = utils.tb2grid(int_model, nk=nk)
if dim == 0:
self.H0_k = tb_model[()]
self.V_k = int_model[()]
\ No newline at end of file
diff --git a/codes/utils.py b/codes/utils.py
index 442437d..a1d7c1a 100644
--- a/codes/utils.py
+++ b/codes/utils.py
@@ -229,6 +229,26 @@ def kgrid_hamiltonian(nk, hk, dim, return_ks=False, hermitian=True):
return ham.reshape(*shape), ks
else:
return ham.reshape(*shape)
+
+
+def tb2grid(tb_model, nk):
+ """
+ Fourier transforms and evaluates the model on a regular k-point grid.
+
+ Parameters
+ ----------
+ tb_model : dict
+ Tight-binding model.
+ nk : int
+ Number of k-points per dimension.
+
+ Returns
+ -------
+ H_k : nd-array
+ Model evaluated on a k-point grid.
+ """
+ dim = len([*tb_model.keys()][0])
+ return kgrid_hamiltonian(nk, model2hk(tb_model), dim)
def build_interacting_syst(builder, lattice, func_onsite, func_hop, max_neighbor=1):
--
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