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questaal

Here are 3 public repositories matching this topic...

santoshkumarradha / pyquestaal

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

Updated Jul 5, 2022
Python

santoshkumarradha / questaal-reader

Prase and read QUESTAAL quantum calculation's output

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

Updated Feb 21, 2024
Python

Electronic-Structure-Group / v2o5-quasiparticle-exciton

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

Updated Mar 15, 2024

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