
almaBTE
 Referenced in 3 articles
[sw20281]
 spacetime dependent Boltzmann transport equation for phonons in structured materials. almaBTE is a software ... timedependent Boltzmann transport equation for phonons, using only abinitio calculated quantities as inputs ... program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices...

PHON
 Referenced in 2 articles
[sw09008]
 PHON: A program to calculate phonons using the small displacement method. The program phon calculates ... force constant matrices and phonon frequencies in crystals. From the frequencies it also calculates various ... examples: metallic Al and insulating MgO. The phonons of these two materials are calculated using ... case of Al the method provides accurate phonon frequencies everywhere in the Brillouin Zone...

PhonTS
 Referenced in 2 articles
[sw20304]
 Phonon Transport Simulator (PhonTS). PhonTS is a lattice dynamics code that calculates thermal conductivity ... Boltzmann Transport Equation (BTE) for phonons. PhonTS has built in classical potentials (Buckingham, Morse, Lennard...

PHONON
 Referenced in 1 article
[sw31965]
 Phonon is a software (see list of Publications) for calculating phonon dispersion curves, and phonon ... supercell and calculate the HellmannFeynman forces. Phonon builds a crystal structure, using ... dynamical matrix, diagonalizes it, and calculates the phonon dispersion relations, and their intensities. Phonon finds ... irreducible representations (Gamma point) of phonon modes, and calculates the total and partial phonon density...

ShengBTE
 Referenced in 3 articles
[sw17641]
 solver of the Boltzmann transport equation for phonons. ShengBTE is a software package for computing...

phq
 Referenced in 1 article
[sw31964]
 Fortran code to compute phonon quasiparticle properties and dispersions. We here introduce a Fortran code ... solids from firstprinciples based on our phonon quasiparticle approach. In this code, phonon quasiparticle ... properties, i.e., renormalized phonon frequencies and lifetimes, are extracted from modeprojected velocity autocorrelation ... harmonic force constant matrix to calculate anharmonic phonon dispersions over the whole Brillouin zone...

phono3py
 Referenced in 1 article
[sw27881]
 phono3py: A simulation package of phononphonon interaction related properties. This software calculates phononphonon ... conductivity (RTA and direct solution of LBTE); Phonon lifetime/linewidth; Imaginary part of self energy; Joint...

AAPL
 Referenced in 1 article
[sw27882]
 conductivity of solids: AFLOWAAPL Automatic Anharmonic Phonon Library. One of the most accurate approaches ... properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force...

EPW
 Referenced in 1 article
[sw06043]
 wannier90 package in order to generate electronphonon matrix elements on arbitrarily dense Brillouin zone...

p4vasp
 Referenced in 1 article
[sw35730]
 energy and selected forces along relaxation path. Phonon properties  dispersion, velocity autocorrelation. Interactive plots...

Phonopy
 Referenced in 1 article
[sw35805]
 Phonopy is an open source package for phonon calculations at harmonic and quasiharmonic levels...

YPHON
 Referenced in 0 articles
[sw19279]
 YPHON: a package for calculating phonons of polar materials. In our recent works, we have ... method for the firstprinciple calculation of phonon properties. It makes full ... reciprocal space, making the accurate phonon calculation possible with the direct method for polar materials ... package include the calculations of: (1) the phonon dispersions; (2) the phonon density of states...

PHASEGO
 Referenced in 0 articles
[sw19023]
 extracts the Helmholtz free energy from the phonon density of states obtained by the first...

Gmsh
 Referenced in 576 articles
[sw00366]
 Gmsh is a 3D finite element grid generator...

Mathematica
 Referenced in 5883 articles
[sw00554]
 Almost any workflow involves computing results, and that...

Matlab
 Referenced in 12074 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

REDUCE
 Referenced in 739 articles
[sw00789]
 REDUCE is an interactive system for general algebraic...

SLEPc
 Referenced in 157 articles
[sw00875]
 SLEPc the Scalable Library for Eigenvalue Problem Computations...

SPRNG
 Referenced in 42 articles
[sw00905]
 Algorithm 806: SPRNG: A Scalable Library for Pseudorandom...

Wannier90
 Referenced in 12 articles
[sw01010]
 wannier90: A Tool for Obtaining MaximallyLocalised Wannier...