001 | 917089 | ||
005 | 20230123101918.0 | ||
024 | 7 | _ | |a 10.5281/ZENODO.6639466 |2 doi |
037 | _ | _ | |a FZJ-2023-00331 |
041 | _ | _ | |a English |
100 | 1 | _ | |a Winkelmann, Jan |0 P:(DE-Juel1)167415 |b 0 |
245 | _ | _ | |a ChASE-library/ChASE: ChASE v1.1.2 Release |
260 | _ | _ | |c 2022 |
336 | 7 | _ | |a Software |2 DCMI |
336 | 7 | _ | |a Software |b sware |m sware |0 PUB:(DE-HGF)33 |s 1673437445_25995 |2 PUB:(DE-HGF) |
336 | 7 | _ | |a MISC |2 BibTeX |
336 | 7 | _ | |a Computer Program |0 6 |2 EndNote |
336 | 7 | _ | |a OTHER |2 ORCID |
336 | 7 | _ | |a Software |2 DataCite |
520 | _ | _ | |a 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 |
536 | _ | _ | |a 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) |0 G:(DE-HGF)POF4-5111 |c POF4-511 |f POF IV |x 0 |
536 | _ | _ | |a Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM) |0 G:(DE-Juel1)SDLQM |c SDLQM |f Simulation and Data Laboratory Quantum Materials (SDLQM) |x 1 |
588 | _ | _ | |a Dataset connected to DataCite |
700 | 1 | _ | |a Davidovic, Davor |0 P:(DE-HGF)0 |b 1 |
700 | 1 | _ | |a Wu, Xinzhe |0 P:(DE-Juel1)178969 |b 2 |u fzj |
700 | 1 | _ | |a Achilles, Sebastian |0 P:(DE-Juel1)169552 |b 3 |
700 | 1 | _ | |a Di Napoli, Edoardo |0 P:(DE-Juel1)144723 |b 4 |e Corresponding author |
773 | _ | _ | |a 10.5281/ZENODO.6639466 |
909 | C | O | |o oai:juser.fz-juelich.de:917089 |p VDB |
910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 2 |6 P:(DE-Juel1)178969 |
910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 3 |6 P:(DE-Juel1)169552 |
910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 4 |6 P:(DE-Juel1)144723 |
913 | 1 | _ | |a DE-HGF |b Key Technologies |l Engineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action |1 G:(DE-HGF)POF4-510 |0 G:(DE-HGF)POF4-511 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-500 |4 G:(DE-HGF)POF |v Enabling Computational- & Data-Intensive Science and Engineering |9 G:(DE-HGF)POF4-5111 |x 0 |
914 | 1 | _ | |y 2022 |
920 | 1 | _ | |0 I:(DE-Juel1)JSC-20090406 |k JSC |l Jülich Supercomputing Center |x 0 |
980 | _ | _ | |a sware |
980 | _ | _ | |a VDB |
980 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
980 | _ | _ | |a UNRESTRICTED |
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