Performance Enhancement of APW+<i>lo</i> Calculations by Simplest Separation of Concerns

Full-potential linearized augmented plane wave (LAPW) and APW plus local orbital (APW+<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>l</mi><mi>o</mi></mrow></semantics...

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Bibliographic Details
Published in:Computation
Main Authors: Long Zhang, Anton Kozhevnikov, Thomas Schulthess, Hai-Ping Cheng, Samuel B. Trickey
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Subjects:
LAPW method
APW+<i>lo</i> method
all-electron DFT
Online Access:https://www.mdpi.com/2079-3197/10/3/43

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https://www.mdpi.com/2079-3197/10/3/43

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