84 citations · 113 across the 3 of their papers we have counts for
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physics.comp-ph2017★ 84 cited
The PSML format and library for norm-conserving pseudopotential data curation and interoperability
Alberto García, Matthieu Verstraete, Yann Pouillon +1
Norm-conserving pseudopotentials are used by a significant number of electronic-structure packages, but the practical differences among codes in the handling of the associated data…
physics.comp-ph2014★ 27 cited
SIESTA-PEXSI: Massively parallel method for efficient and accurate \textit{ab initio} materials simulation without matrix diagonalization
Lin Lin, Alberto García, Georg Huhs +1
We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SI…