-
Notifications
You must be signed in to change notification settings - Fork 0
/
parameters.cfg
160 lines (129 loc) · 7.03 KB
/
parameters.cfg
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
# Configuration file for executables prepare_datapoints and process_datapoint
# Text on the right of #, including #, are considered comments.
# A whole line can be commented or part of a line
# Format: variable_name = value
# variable_name should match exactly what the code expects, otherwise error is produced
# However, if additional variables are declared that do not occurs in the code, no error
# Formatting can include arbitrary number of white spaces between.
# Types should not be included, they are automatically known at the compliation time by the code
# The running of the code is divided into two phases:
# 1) preparing the simulation data points
# 2) Runnin the simulations and saving the data
# This file contains parameters relevant for both, clearly separated.
### Simulation preparation parameters start ###
# The parameters define a collection of simulation data points, collected together as an
# analysis. The distinct data points are defined by parameters listed below in 'variables'.
# All the combinations of the considered variable parameter values have their own data point.
#
# Details of accepted parameters and their behavior can be found in the main function of
# prepare_datapoints.cpp
format = hdf5 # Format of the data saving, hdf5 or csv
# Is the system in equilibrium? 0 or 1. If 1, then the equilibrium is defined by the
# temperature and the chemical potential of the left lead, that is, bias is considered to be zero
# even if specified otherwise below
equilibrium = 0 # 0 or 1
# Scattering system:
U = 0.0 # interaction strength at the scattering system
gate = 0.0 # gate potential at the scattering system, controlling the filling
disorder = 0.0 # scattering system on-site guassian disorder potential std. deviation
seed = 1110 # random seed used for generating the gaussian potential
geometry_path = ./geometry.cfg # path to the geometry configuration
# Lead parameters
# Configuration of the two terminal setup: whether the leads are normal or superconducting
# or disconnected from the scattering system, format: <left_lead_type><right_lead_type>
# Important: If here a lead is set to be a normal conductor,
# the order parameter set below is neglected!!
lead_config = NS # SS, SN, NS, NN or closed
# Lead parameters
# Leads are modeled as semi-infinite linear chains of sites
# left lead
tL = 30.0 # hopping amplitude of the Left lead
DeltaL = 0.0 # superconducting order parameter amplitude at the Left lead
phaseL = 0.0 # the phase of the order parameter of the Left lead
TL = 0.002 # Temperature of the left lead
# right lead
tR = 30.0 # hopping amplitude of the Right lead
DeltaR = 1.0 # order parameter at the Right lead
phaseR = 0.0 # the phase of the order parameter of the Right lead
TR = 0.002 # Temperature of the right lead
# Bias or chemical potential difference between leads
# By convention, the right lead chemical potential is the definition of zero energy
# bias is the left lead chemical potential
bias = 0.5
# Lead-system coupling parameters
tLS = 5.3 # system -> left lead hopping amplitude
tRS = 5.3 # system -> right lead hopping amplitude
# Contact points of the leads in the scattering system
# 0 corresponds to the lowest and end to the largest in the indexing
# of the sites in the scattering system
cpoint_L = 0 # left lead contact point in the system
cpoint_R = end # right lead contanct point in the system
# Contact potentials: extra potentials at the contact sites
VCL = 1.0
VCR = 1.0
# ---- variable parameters (order from outer to inner loop, the rightmost is looped first) ----
# (overrides the constant values)
# variables separated by commas (,) are varied indendently as a grid.
# possibilities: gate,bias,muL,muR,U,TL,TR,phaseL,phaseR,DeltaL,DeltaR
#variables = gate,U
variables = gate
# Format: <name_of_variable>=<number of points>:<interval start>:<interval stop>,...
# Uniform grid of points, both the start and stop of the interval are included
# e.g. gates = 200:-2.0:2.0, 10:4.5:5.0 produces 200 points from -2.0 to 2.0 and 10 points from 4.5 to 5.
gates = 200:-4.5:2.5
Us = 6:-0.0:-0.5
biass = 100:0.0:10.0
phaseLs = 30:0.5:0.99
TLs = 1:0.0:0.0
# Only the variable listed in the variables are considered
# If many are listed, then all the combinations of the given values are considered
#
# Output location for the created analysis folder
output_root = ./Data
output_note = scan_gate # Optional note
# Output name format: what information to include
# possibilities to add
# type = lead configuration and wheter or not is at equilibrium, e.g. NN_ne, NS_e, closed
# lattice = the lattice name and number of unit cells, as specified in geometry.cfg
# others are self-explanatory.
# For options, check create_main_folder function in prepare_datapoints.cpp.
output_format = type_lattice_variables_bias_U_tLS_VCL_DeltaR_TL_disorder
### Simulation preparation parameters end ###
### Simulation parameters start ####
# Method: In the code, four solution algorithms are implemented:
# 1) direct diagonalization for a closed system, here called 'closed'
# 2) real-frequency calculation for time-independent steady state in or out of equilbrium,
# involving inverse Fourier transfromation from frequency to time-domain. The method is based
# on a steady state formulation of the Non-equilibrium Green's function method (NEGF).
# It is called 'real_freq_H_time_independent'. Valid for NN, NS lead configurations and
# the SS configuration at equilibrium
# 3) real-frequency calucuation for time-periodic stationary states out of equilibrium,
# where distinct Fourier components of observables and mean fields are considered.
# This is also based on NEGF. It is known as 'real_freq_H_time_periodic'
# 4) imaginary-frequency calculation, valid at finite-temperature at equilibrium,
# using a modified Matsubara summation strategy known as the Pade sumamation.
# Here called 'Pade'.
# method = closed
method = real_freq_H_time_independent
# method = real_freq_H_time_periodic
ieta = (0.0,1.0e-3) # Regularization parameter for real-frequency Green's functions
# Cutoffs
cutoff_below = -40 # frequency integration cut-off from below
cutoff_above = 2.5 # cut-off from above
n_harmonics = 5 # number of harmonics considered for observables (time periodic)
tol_quad = 1.0e-8 # required numerical tolerance for inverse Fourier transform integral
# method = Pade
n_approx = 1000 # For Pade summation
# Default: closed when lead_config is closed. Otherwise,
# Pade if at equilibrium and finite temperature, real_freq_H_time_independent if at zero temperature
# equilibrium or non-equilibrium NN or NS, real_freq_H_time_periodic if lead_config is SS and working
# at finite bias
# method = default
# Current calculation specifications
#current_method = Meirwingreen # method to calculate current, MeirWingreen,UnitCell
current_method = MeirWingreen
lead_idx = 1 # Lead where the current is calculated: 1 or 2, for left and right leads.
direction = 1 # Whether to calculate the current towards the scattering system or away (1 or -1)
#current_method = UnitCell
current_unitc = 2 # in case of method UnitCell, at which unit cell is the current calculated
### Simulation parameters end ####