275 citations · 380 across the 2 of their papers we have counts for
2 papers
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.comp-ph2014★ 105 cited
Orbital-Free Density Functional Theory Implementation with the Projector Augmented-Wave Method
J. Lehtomäki, I. Makkonen, M. A. Caro +2
We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scali…