Self-consistent augmented-plane-wave electronic-structure calculations for theA15compoundsV3XandNb3X,X=Al,Ga,Si,Ge,andSn

Physical Review B ◽

10.1103/physrevb.18.6411 ◽

1978 ◽

Vol 18 (12) ◽

pp. 6411-6438 ◽

Author(s):

B. M. Klein ◽

L. L. Boyer ◽

D. A. Papaconstantopoulos ◽

L. F. Mattheiss

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Self Consistent ◽

Structure Calculations

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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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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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Correction [to “Linearized augmented plane wave electronic structure calculations for MgO and CaO” by M. J. Mehl, R. E. Cohen, and H. Krakauer]

Journal of Geophysical Research Atmospheres ◽

10.1029/jb094ib02p01977 ◽

1989 ◽

Vol 94 (B2) ◽

pp. 1977 ◽

Author(s):

M. J. Mehl ◽

R. E. Cohen ◽

H. Krakauer

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Linearized augmented plane wave electronic structure calculations for MgO and CaO

Journal of Geophysical Research Atmospheres ◽

10.1029/jb093ib07p08009 ◽

1988 ◽

Vol 93 (B7) ◽

pp. 8009 ◽

Author(s):

M. J. Mehl ◽

R. E. Cohen ◽

H. Krakauer

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Augmented Plane Wave ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

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Iterative diagonalization in augmented plane wave based methods in electronic structure calculations

Journal of Computational Physics ◽

10.1016/j.jcp.2009.09.036 ◽

2010 ◽

Vol 229 (2) ◽

pp. 453-460 ◽

Author(s):

P. Blaha ◽

H. Hofstätter ◽

O. Koch ◽

R. Laskowski ◽

K. Schwarz

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

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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Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations

ESAIM Mathematical Modelling and Numerical Analysis ◽

10.1051/m2an/2014052 ◽

2015 ◽

Vol 49 (3) ◽

pp. 755-785 ◽

Author(s):

Huajie Chen ◽

Reinhold Schneider

Keyword(s):

Electronic Structure ◽

Numerical Analysis ◽

Electronic Structure Calculations ◽

Full Potential ◽

Augmented Plane Wave ◽

Wave Methods ◽

Structure Calculations

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Simplifying the self-consistent procedure in crystal electronic-structure calculations

Journal of Structural Chemistry ◽

10.1007/bf00752079 ◽

1988 ◽

Vol 28 (5) ◽

pp. 810-810

Author(s):

R. A. �varestov ◽

V. A. Veryazov ◽

A. V. Leko

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

The Self ◽

Self Consistent ◽

Structure Calculations

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PLANE-WAVE PSEUDOPOTENTIAL ELECTRONIC STRUCTURE CALCULATIONS ON PARALLEL SUPERCOMPUTERS

Topics in Computational Materials Science ◽

10.1142/9789812817006_0002 ◽

1998 ◽

pp. 61-95

Author(s):

J. S. NELSON ◽

S. J. PLIMPTON

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Parallel Supercomputers ◽

Structure Calculations

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Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations

Physical Review B ◽

10.1103/physrevb.102.195138 ◽

2020 ◽

Vol 102 (19) ◽

Author(s):

Miriam Winkelmann ◽

Edoardo Di Napoli ◽

Daniel Wortmann ◽

Stefan Blügel

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Self Consistent ◽

Structure Calculations

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