Software

FZJ-2023-00331

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png ChASE-library/ChASE: ChASE v1.1.2 Release

Winkelmann, J. ; Davidovic, D. ; Wu, X.FZJ* ; Achilles, S.FZJ* ; Di Napoli, E. (Corresponding author)FZJ*

2022

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Please use a persistent id in citations: doi:10.5281/ZENODO.6639466

Abstract: We release the version 1.2.0 of ChASE, with new features as follows: include fortran interface explicitly in the ChASE code add a new chase-mpi-properties interface for block distribution, in which the distribution is provided by user, rather than use the built-in one. fully compatible with Quantum Espresso

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)
2. Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM) (SDLQM)

Appears in the scientific report 2022

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