AlmaBTE  1.3
A solver of the space- and time-dependent Boltzmann transport equation for phonons
include Directory Reference

Files

file  analytic1d.hpp [code]
 Code related to fully analytical 1D RTA solutions.
 
file  aux_cubic.hpp [code]
 This file contains some auxiliary code used for computing 1D Green's functions and related quantities using piecewise cubic interpolation.
 
file  beyondRTA.hpp [code]
 Code related to BTE calculations beyond the RTA.
 
file  bulk_hdf5.hpp [code]
 Functions to save and load data about a bulk system to an HDF5 file.
 
file  bulk_properties.hpp [code]
 Code related to bulk properties such as the specific heat.
 
file  constants.hpp [code]
 Physical, mathematical and miscellaneous constants used in alma.
 
file  deviational_particle.hpp [code]
 Code used to describe deviational particles.
 
file  dos.hpp [code]
 Code related to the phonon density fo states (DOS).
 
file  dynamical_matrix.hpp [code]
 Code related to the dynamical matrix.
 
file  exceptions.hpp [code]
 Exceptions used in ALMA.
 
file  green1d.hpp [code]
 Code for dealing with Green's functions for 1 dimension in real space.
 
file  io_utils.hpp [code]
 Helper code to write calculation results into external files.
 
file  isotopic_scattering.hpp [code]
 Code implementing isotopic scattering according to Tamura's formula: S.
 
file  periodic_table.hpp [code]
 Data about the elements in the periodic table.
 
file  processes.hpp [code]
 Detection and representation of allowed three-phonon processes.
 
file  qpoint_grid.hpp [code]
 Classes and functions used to manipulate grids in reciprocal space.
 
file  sampling.hpp [code]
 Classes and functions used for sampling from several distributions used in the MC scheme.
 
file  shengbte_iter.hpp [code]
 Code implementing the full BTE solution by the Omini-Sparavigna iterative method, as implemented in ShengBTE.
 
file  structures.hpp [code]
 Definitions of the basic data-handling classes in ALMA.
 
file  superlattices.hpp [code]
 Code implementing the treatment of binary superlattices as a combination of an effective medium (virtual crystal) plus a source of elastic scattering.
 
file  symmetry.hpp [code]
 C++ interface to Atsushi Togo's spglib.
 
file  utilities.hpp [code]
 Miscellaneous convenience resources.
 
file  vasp_io.hpp [code]
 Routines to load files coming from the VASP + Phonopy ecosystem.
 
file  vc.hpp [code]
 Code related to the virtual crystal approximation for alloys and isotopic mixtures.