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conda-forge.org : alamode
ALAMODE is a scientific software designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the calculated anharmonic force constants, you can also estimate lattice thermal conductivity, phonon linewidth, and other anharmonic phonon properties from first principles.
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purl: pkg:conda/alamode
Keywords: alamode, phonon, simulation
License: MIT
Latest release: over 1 year ago
First release: almost 3 years ago
Stars: 111 on GitHub
Forks: 50 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 5 days ago