Case / Article
Phonon effects in phase equilibria
ISSP Activity Report 2023, p. 64…Read More
Low Thermal Conductance Generated by van Der Waals Interaction
ISSP Activity Report 2021, p. 299-300…Read More
now 326 Apps
Inquiry / Application RequestA 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.
ISSP Activity Report 2023, p. 64…Read More
ISSP Activity Report 2021, p. 299-300…Read More