Information

Official site

http://ttadano.github.io/alamode/

License

MIT Licence

Availability

Unix/Linux
LAPACK library, MPI library, Boost C++ library
FFTW library, Eigen3 library

Core Developers

Terumasa Tadano (NIMS)

Target substance/model

Solids

Physical quantities that can be computed

Harmonic/anharmonic force constants, Phonon dispersion, Phonon DOS, Gruneisen parameter, Phonon linewidth, Lattice thermal conductivity, Harmonic/anharmonic phonons at finite temperature, free energy (harmonic, anharmonic)

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This is a program package that constructs interatomic potential taking into open consideration the anharmonicity of lattice vibrations.

The program can estimate the harmonicity and anharmonicity force constants from the output of first-principles computational programs such as VASP and xTAPP and calculate phonon–phonon scattering intensity as well as lattice thermal conductivity based on this estimation.