The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
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Dec 8, 2024 - Fortran
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qsgw
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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
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Jul 5, 2022 - Python
Prase and read QUESTAAL quantum calculation's output
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Feb 21, 2024 - Python
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