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Massively parallel implementation of gradients within the Random Phase Approx...
The Random-Phase approximation (RPA) provides an appealing framework for semi-local density functional theory. In its current formulation, it is cost-effective and has a better... -
Massively parallel implementation of gradients within the Random Phase Approx...
The Random-Phase approximation (RPA) provides an appealing framework for semi-local density functional theory. In its current formulation, it is cost-effective and has a better... -
LDBC Graphalytics graphs
Data sets for the LDBC Graphalytics benchmark. Stored in zstd-compressed CSV and Matrix Market files. graphalytics-graph-data-sets: The Graphalytics graphs represented as... -
Toward GW Calculations on Thousands of Atoms
We provide the input files needed to reproduce the results of the article Toward GW Calculations on Thousands of Atoms J. Wilhelm, D. Golze, L. Talirz, J. Hutter, C. A....