Input XML

  Copyright (C) 2009-2016 Peter Rakyta, Ph.D.
  This program is free software: you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 3 of the License, or
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  but WITHOUT ANY WARRANTY; without even the implied warranty of
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  GNU General Public License for more details.
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Description

The XML structure of the input file. Examples of the input file are provided within the package EQuUs (see the directory "Examples"). The input file contains of the following tags:

<parameters identifier="EQuUs" version="4.8">

<computing_parameters>

Child tags
<Decimation value="4" /> Parameter for decimation. For details see the interface Decimation.
<Decimation_block value="301" /> An integer value for the largest block to be decimated together. For details see the class Decimation.
<magnetic_field value="0" /> Logical parameter. Set 1 to use magnetic field in the system, or 0 otherwise. For details see the interface Peierls.
<Lattice_Type value="1" /> Set 'Square' for Square lattice, 'Graphene' for Graphene lattice, 'Silicene' for Silicene lattice, 'Graphene_Bilayer' for bilayer graphene, 'SSH' for the SSH model.
<Simple_Green_Function value="0" /> Set 1 if a simple analytical surface Greens function computational method is about to use. (Only for square lattice without a magnetic field)
<usingDualModes value="0" /> Set 1 to use dual modes in the calculations, or 0 to use the left and right sided eigenvectors instead.
<debug value="0" /> Set 1 to export debug informations into the debug.txt file, or 0 otherwise.
<Linear_Regression_in_B value="0" /> Set 1 (default) to use linear regression to calculate the Peierls integrals between the sites. Useful when dealing with homogeneous magnetic field.
<BdG value="0" /> Set 1 to use the Bogoliubov de Gennes model, or 0 for normal system.
<Silent value="0" /> Set 1 to suppress the output messages.
<workers value="0" /> Number of workers for the parallel computations.
<custom_Hamiltonians value="0" /> Set "Siesta" to load Hamiltonians from the Siesta package.

/computing_parameters>




<Scatter_region>

Child tags
<epsilon value="0" /> On-site energy on the sites.
<vargamma value="2.97" /> The hopping amplitude between the sites.
<SOintrinsic value="0" /> The strength of the intrinsic SOI in silicene.
<deltaAB value="0" /> The strength of the staggered A-B potential in silicene.
<SO_rashba_intrinsic value="0" /> The strength of the intrinsic Rashba SOI in silicene.
<pair_potential abs="0" phase="1.3" /> The pair potential for superconducting phases (absolute value and the complex phase).
<FileName value="filename" /> The filename to be loaded as external source of Hamiltonians

<Shape>

Child tags
<width value="10" /> The width of the scattering region (equal to parameter M in the leads)
<height value="10" /> Height (lengt) of the scattering center (in units of unit cells)

</Shape>

<Atom>

Child tags
<Id value="10" /> Identification number of the given atom (when Hamiltonian is loaded from external source)
<PL value="10" /> Index of the principal layer of the given atom (when Hamiltonian is loaded from external source)

</Atom>

</Scatter_region>




<Lead_parameters>

Child tags
<NofLeads value="NaN" /> The number of the leads attached to the scattering region.
<End_Type value="0" /> Values are 'A' for zigzag edged ribbon (Armchair end), and 'Z' for ribbon with armchair type edges (Zigzag end) in hexagonal lattice.

<lead>

Child tags
<epsilon value="0" /> On-site energy on the sites.
<vargamma value="2.97" /> The hopping amplitude between the sites.
<SOintrinsic value="0" /> The strength of the intrinsic SOI in silicene.
<deltaAB value="0" /> The strength of the staggered A-B potential in silicene.
<SO_rashba_intrinsic value="0" /> The strength of the intrinsic Rashba SOI in silicene.
<pair_potential abs="0" phase="1.3" /> The pair potential for superconducting phases (absolute value and the complex phase).
<orientation value="1" /> Set $+1$ if the incoming states to the scattering center are propagating in the $+x$ or $+y$ direction, and $-1$ otherwise.
<M value="NaN" /> The number of the sites in the cross section of the lead.
<End_Type value="0" /> Values are 'A' for zigzag edged ribbon (Armchair end), and 'Z' for ribbon with armchair type edges (Zigzag end) in hexagonal lattice.
<FileName value="filename" /> The filename to be loaded as external source of Hamiltonians

<Atom>

Child tags
<Id value="10" /> Identification number of the given atom (when Hamiltonian is loaded from external source)
<PL value="10" /> Index of the principal layer of the given atom (when Hamiltonian is loaded from external source)

</Atom>

</lead>

</Lead_parameters>

</parameters>




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input file