000917089 001__ 917089
000917089 005__ 20230123101918.0
000917089 0247_ $$2doi$$a10.5281/ZENODO.6639466
000917089 037__ $$aFZJ-2023-00331
000917089 041__ $$aEnglish
000917089 1001_ $$0P:(DE-Juel1)167415$$aWinkelmann, Jan$$b0
000917089 245__ $$aChASE-library/ChASE: ChASE v1.1.2 Release
000917089 260__ $$c2022
000917089 3367_ $$2DCMI$$aSoftware
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000917089 3367_ $$06$$2EndNote$$aComputer Program
000917089 3367_ $$2ORCID$$aOTHER
000917089 3367_ $$2DataCite$$aSoftware
000917089 520__ $$aWe release the version 1.2.0 of ChASE, with new features as follows: include fortran interface explicitly in the ChASE code add a new chase-mpi-properties interface for block distribution, in which the distribution is provided by user, rather than use the built-in one. fully compatible with Quantum Espresso
000917089 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0
000917089 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x1
000917089 588__ $$aDataset connected to DataCite
000917089 7001_ $$0P:(DE-HGF)0$$aDavidovic, Davor$$b1
000917089 7001_ $$0P:(DE-Juel1)178969$$aWu, Xinzhe$$b2$$ufzj
000917089 7001_ $$0P:(DE-Juel1)169552$$aAchilles, Sebastian$$b3
000917089 7001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo$$b4$$eCorresponding author
000917089 773__ $$a10.5281/ZENODO.6639466
000917089 909CO $$ooai:juser.fz-juelich.de:917089$$pVDB
000917089 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)178969$$aForschungszentrum Jülich$$b2$$kFZJ
000917089 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)169552$$aForschungszentrum Jülich$$b3$$kFZJ
000917089 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b4$$kFZJ
000917089 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0
000917089 9141_ $$y2022
000917089 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
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000917089 980__ $$aI:(DE-Juel1)JSC-20090406
000917089 980__ $$aUNRESTRICTED