questaal

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Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.

python dft physics electronic-structure gw ase condensed-matter-physics pymatgen qsgw questaal atomic-simulation-environment

Prase and read QUESTAAL quantum calculation's output

python dft ab-initio electronic-structure gw qsgw questaal quantum-codes questaal-reader

Data repository for the research paper 'Quasiparticle band structure and excitonic optical response in V2O5 bulk and monolayer'.

dft physics band-structure quantum-chemistry optics materials-science exciton questaal v2o5 quasiparticle

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