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cond-mat.mtrl-sci2023★ 275 cited
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
physics.atom-ph2023★ 4 cited
Electron Ptychography Reveals Correlated Lattice Vibrations at Atomic Resolution
Anton Gladyshev, Benedikt Haas, Thomas C. Pekin +4
In this paper we introduce an electron ptychography reconstruction framework, CAVIAR -- Correlated Atomic Vibration Imaging with sub-Angstrom Resolution -- that reveals an entirely…