A Julia package for calculating properties of crystalline solids.
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Updated
Mar 17, 2023 - Julia
A Julia package for calculating properties of crystalline solids.
A Julia-Python interface of https://github.com/MineralsCloud/qha
Construct a numerical Hamiltonian matrix of Kronig-Penny model extended to arbitrary potentials based on the paper written by Pavelich and Marsiglio, American Journal of Physics 83, 774 (2015)
An interface for generating simple crystal structures for molecular dynamics simulations.
A Julia implementation of Paolo Giannozzi's course: Numerical Methods in Quantum Mechanics
A Julia package for fitting the equation of state of solids, and more
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
Plotting recipes for equations of state
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