Operator approach in the linearized augmented-plane-wave method: Efficient electronic-structure calculations including forces

Physical Review B ◽

10.1103/physrevb.45.1597 ◽

1992 ◽

Vol 45 (4) ◽

pp. 1597-1604 ◽

Author(s):

S. Goedecker ◽

K. Maschke

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Wave Method ◽

Operator Approach ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Electronic-structure calculations of (AAs)m(GaAs)n superlattices based on full-potential linearized augmented-plane-wave method

Superlattices and Microstructures ◽

10.1016/0749-6036(87)90077-2 ◽

1987 ◽

Vol 3 (3) ◽

pp. 301-305 ◽

Author(s):

Noriaki Hamada ◽

Shuhei Ohnishi

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Augmented Plane Wave Method: A Guide to Performing Electronic Structure Calculations

Physics Today ◽

10.1063/1.3034041 ◽

1967 ◽

Vol 20 (11) ◽

pp. 92-93 ◽

Author(s):

Terry Loucks ◽

John C. Slater

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Structure Calculations

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Self-consistent linearized-augmented-plane-wave-method determination of electronic structure and surface states on Al(111)

Physical Review B ◽

10.1103/physrevb.23.1685 ◽

1981 ◽

Vol 23 (4) ◽

pp. 1685-1691 ◽

Author(s):

Ding-sheng Wang ◽

A. J. Freeman ◽

H. Krakauer ◽

M. Posternak

Keyword(s):

Electronic Structure ◽

Surface States ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Treatment of semicore states in the linearized augmented-plane-wave method and other linearized electronic-structure methods

Physical Review B ◽

10.1103/physrevb.47.9881 ◽

1993 ◽

Vol 47 (15) ◽

pp. 9881-9883 ◽

Author(s):

S. Goedecker

Keyword(s):

Electronic Structure ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Electronic Structure Methods ◽

Linearized Augmented Plane Wave

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Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:O2molecule

Physical Review B ◽

10.1103/physrevb.24.864 ◽

1981 ◽

Vol 24 (2) ◽

pp. 864-875 ◽

Cited By ~ 1741

Author(s):

E. Wimmer ◽

H. Krakauer ◽

M. Weinert ◽

A. J. Freeman

Keyword(s):

Electronic Structure ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Structure Of Molecules ◽

Augmented Plane Wave Method ◽

Self Consistent ◽

Linearized Augmented Plane Wave

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Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method

Physical Review B ◽

10.1103/physrevb.69.024415 ◽

2004 ◽

Vol 69 (2) ◽

Author(s):

Ph. Kurz ◽

F. Förster ◽

L. Nordström ◽

G. Bihlmayer ◽

S. Blügel

Keyword(s):

Ab Initio ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.92.115132 ◽

2015 ◽

Vol 92 (11) ◽

Author(s):

Lin-Hui Ye

Keyword(s):

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Calculation of atomic forces using the linearized-augmented-plane-wave method

Physical Review B ◽

10.1103/physrevb.50.8846 ◽

1994 ◽

Vol 50 (12) ◽

pp. 8846-8848 ◽

Author(s):

H. G. Krimmel ◽

J. Ehmann ◽

C. Elsässer ◽

M. Fähnle ◽

J. M. Soler

Keyword(s):

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Electronic structure of KTiOAsO4: A comparative study by the full potential linearized augmented plane wave method, X-ray emission spectroscopy and X-ray photoelectron spectroscopy

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2008.10.144 ◽

2009 ◽

Vol 477 (1-2) ◽

pp. 768-775 ◽

Author(s):

O.Yu. Khyzhun ◽

V.L. Bekenev ◽

V.V. Atuchin ◽

A.K. Sinelnichenko ◽

L.I. Isaenko

Keyword(s):

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Emission Spectroscopy ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

X Ray ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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Linear-response calculations within the linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.49.4467 ◽

1994 ◽

Vol 49 (7) ◽

pp. 4467-4477 ◽

Author(s):

Rici Yu ◽

H. Krakauer

Keyword(s):

Linear Response ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

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