Excited state forces code. Calculate forces after excitation by combining results from GW/BSE and DFPT calculations
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Updated
Jun 6, 2026 - Python
Excited state forces code. Calculate forces after excitation by combining results from GW/BSE and DFPT calculations
Data repository for the research paper 'Quasiparticle band structure and excitonic optical response in V2O5 bulk and monolayer'.
DFT+U and beyond for molecular magnetism — spin-crossover energies, gaps (KS/GLLBSC/G0W0), optical spectra (BSE/RPA), geometry optimization, and phonons with GPAW+ASE.
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