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Topic: "lattice-dynamics"

MineralsCloud/phq

phq: a Fortran code to compute phonon quasiparticle properties and dispersions

Language: Fortran - Size: 18 MB - Last synced at: about 1 month ago - Pushed at: over 5 years ago - Stars: 14 - Forks: 5

brucefan1983/dynamical-matrix-matlab

A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential

Language: MATLAB - Size: 13.7 KB - Last synced at: about 2 years ago - Pushed at: almost 6 years ago - Stars: 4 - Forks: 2

JuliaMatSci/ADIP2.jl

Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl

Language: Julia - Size: 2.56 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 3 - Forks: 0

WMD-group/CZTS-model

Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria

Language: Python - Size: 1.01 MB - Last synced at: about 1 year ago - Pushed at: almost 9 years ago - Stars: 3 - Forks: 7

jochym/hecss

HECSS is a Monte-Carlo, configuration space sampler using sample weighting algorithm for probability distribution sampling.

Language: Jupyter Notebook - Size: 128 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0