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revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals

✍ Scribed by Wahl, Roman; Vogtenhuber, Doris; Kresse, Georg

Book ID: 121874357
Publisher: The American Physical Society
Year: 2008
Tongue: English
Weight: 228 KB
Volume: 78
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.78.104116

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## Abstract Energy bands of VO are calculated by the augmented‐plane‐wave and Green's function methods. The results of calculations with different potentials are compared. The physical causes for differences in the bands are discussed.