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  • ALAMODE

ALAMODE

  • Openness:3 ★★★
  • Document quality:2 ★★☆

A program package for constructing interatomic force fields which explicitly consider lattice anharmonicity. In combination with a molecular dynamics simulator LAMMPS and an external first-principles package such as VASP and Quantum ESPRESSO, ALAMODE extracts harmonic/anharmonic force constants of solids and calculates phonon dispersion, phonon DOS, Gruneisen parameter, phonon-phonon scattering probability, lattice thermal-conductivity, anharmonic phonons at finite temperature, phonon free energy and so on.

Phonon effects in phase equilibria

Yoshihiro GOHDA

ISSP Activity Report 2023, p. 64

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  • The Institute for Solid State Physics
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