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guan-0.0.93

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guanjihuan 2022-06-23 16:48:50 +08:00
parent aeb5e2082b
commit 6967974d3c
2 changed files with 7 additions and 5 deletions
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2
PyPI/setup.cfg
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@ -1,7 +1,7 @@
[metadata] [metadata]
# replace with your username: # replace with your username:
name = guan name = guan
version = 0.0.92 version = 0.0.93
author = guanjihuan author = guanjihuan
author_email = guanjihuan@163.com author_email = guanjihuan@163.com
description = An open source python package description = An open source python package

10
PyPI/src/guan/__init__.py
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@ -2,6 +2,8 @@
# With this package, you can calculate band structures, density of states, quantum transport and topological invariant of tight-binding models by invoking the functions you need. Other frequently used functions are also integrated in this package, such as file reading/writing, figure plotting, data processing. # With this package, you can calculate band structures, density of states, quantum transport and topological invariant of tight-binding models by invoking the functions you need. Other frequently used functions are also integrated in this package, such as file reading/writing, figure plotting, data processing.
# The current version is guan-0.0.93, updated on June 13, 2022.
# Installation: pip install --upgrade guan # Installation: pip install --upgrade guan
# Modules: # Modules:
@ -1564,7 +1566,7 @@ def get_k_and_velocity_of_channel(fermi_energy, h00, h01):
i0 += 1 i0 += 1
eigenvalue = copy.deepcopy(temp2) eigenvalue = copy.deepcopy(temp2)
temp = temp[0:dim, :] temp = temp[0:dim, :]
factor = np.zeros(2*dim, dtype=complex) factor = np.zeros(2*dim)
for dim0 in range(dim): for dim0 in range(dim):
factor = factor+np.square(np.abs(temp[dim0, :])) factor = factor+np.square(np.abs(temp[dim0, :]))
for dim0 in range(2*dim): for dim0 in range(2*dim):
@ -1581,7 +1583,7 @@ def get_classified_k_velocity_u_and_f(fermi_energy, h00, h01):
dim = 1 dim = 1
else: else:
dim = np.array(h00).shape[0] dim = np.array(h00).shape[0]
k_of_channel, velocity_of_channel, eigenvalue, eigenvector = get_k_and_velocity_of_channel(fermi_energy, h00, h01) k_of_channel, velocity_of_channel, eigenvalue, eigenvector = guan.get_k_and_velocity_of_channel(fermi_energy, h00, h01)
ind_right_active = 0; ind_right_evanescent = 0; ind_left_active = 0; ind_left_evanescent = 0 ind_right_active = 0; ind_right_evanescent = 0; ind_left_active = 0; ind_left_evanescent = 0
k_right = np.zeros(dim, dtype=complex); k_left = np.zeros(dim, dtype=complex) k_right = np.zeros(dim, dtype=complex); k_left = np.zeros(dim, dtype=complex)
velocity_right = np.zeros(dim, dtype=complex); velocity_left = np.zeros(dim, dtype=complex) velocity_right = np.zeros(dim, dtype=complex); velocity_left = np.zeros(dim, dtype=complex)
@ -1631,7 +1633,7 @@ def calculate_scattering_matrix(fermi_energy, h00, h01, length=100):
dim = 1 dim = 1
else: else:
dim = np.array(h00).shape[0] dim = np.array(h00).shape[0]
k_right, k_left, velocity_right, velocity_left, f_right, f_left, u_right, u_left, ind_right_active = get_classified_k_velocity_u_and_f(fermi_energy, h00, h01) k_right, k_left, velocity_right, velocity_left, f_right, f_left, u_right, u_left, ind_right_active = guan.get_classified_k_velocity_u_and_f(fermi_energy, h00, h01)
right_self_energy = np.dot(h01, f_right) right_self_energy = np.dot(h01, f_right)
left_self_energy = np.dot(h01.transpose().conj(), np.linalg.inv(f_left)) left_self_energy = np.dot(h01.transpose().conj(), np.linalg.inv(f_left))
for i0 in range(length): for i0 in range(length):
@ -1670,7 +1672,7 @@ def print_or_write_scattering_matrix(fermi_energy, h00, h01, length=100, print_s
dim = 1 dim = 1
else: else:
dim = np.array(h00).shape[0] dim = np.array(h00).shape[0]
transmission_matrix, reflection_matrix, k_right, k_left, velocity_right, velocity_left, ind_right_active = calculate_scattering_matrix(fermi_energy, h00, h01, length) transmission_matrix, reflection_matrix, k_right, k_left, velocity_right, velocity_left, ind_right_active = guan.calculate_scattering_matrix(fermi_energy, h00, h01, length)
if print_show == 1: if print_show == 1:
print('\nActive channel (left or right) = ', ind_right_active) print('\nActive channel (left or right) = ', ind_right_active)
print('Evanescent channel (left or right) = ', dim-ind_right_active, '\n') print('Evanescent channel (left or right) = ', dim-ind_right_active, '\n')