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AlmaBTE
1.3
A solver of the space- and time-dependent Boltzmann transport equation for phonons
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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. | |