Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems

Yao, Yi; Kanai, Yosuke

doi:10.1063/1.4984939

Title: Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems

Journal Article · Wed Jun 14 00:00:00 EDT 2017 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4984939· OSTI ID:1363701

Yao, Yi ^[1]; Kanai, Yosuke ^[1]

Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, USA

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357

OSTI ID:: 1363701

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 146 Journal Issue: 22; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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References (44)

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