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pseudopotentials

Here are 2 public repositories matching this topic...

f-fathurrahman / PWDFT.jl

Plane wave density functional theory using Julia programming language

density-functional-theory julialang electronic-structure pseudopotentials planewave-basis

Updated Sep 16, 2024
Julia

MineralsCloud / Pseudopotentials.jl

A Julia package that provides operations of a database with pseudopotential datasets

database quantum-espresso julia-package pseudopotentials ab-initio-simulations

Updated Jul 9, 2022
Julia

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