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)
Related App
Related keywords
Document
Other 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.