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

H. G. Krimmel; J. Ehmann; C. Elsässer; M. Fähnle; J. M. Soler

doi:10.1103/physrevb.50.8846

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 ◽

Cited By ~ 12

Author(s):

H. G. Krimmel ◽

J. Ehmann ◽

C. Elsässer ◽

M. Fähnle ◽

J. M. Soler

Keyword(s):

Plane Wave ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

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 ◽

Cited By ~ 33

Author(s):

S. Goedecker ◽

K. Maschke

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Electronic Structure Calculations ◽

Wave Method ◽

Operator Approach ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave ◽

Structure Calculations

Download Full-text

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) ◽

Cited By ~ 136

Author(s):

Ph. Kurz ◽

F. Förster ◽

L. Nordström ◽

G. Bihlmayer ◽

S. Blügel

Keyword(s):

Plane Wave ◽

Ab Initio ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

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) ◽

Cited By ~ 7

Author(s):

Lin-Hui Ye

Keyword(s):

Plane Wave ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

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 ◽

Cited By ~ 70

Author(s):

Rici Yu ◽

H. Krakauer

Keyword(s):

Plane Wave ◽

Linear Response ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

Calculations of transport properties with the linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.61.1639 ◽

2000 ◽

Vol 61 (3) ◽

pp. 1639-1642 ◽

Cited By ~ 19

Author(s):

Kentaro Uehara ◽

John S. Tse

Keyword(s):

Plane Wave ◽

Transport Properties ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

Full-potential linearized augmented plane-wave method for one-dimensional systems: Gold nanowire and iron monowires in a gold tube

Physical Review B ◽

10.1103/physrevb.72.045402 ◽

2005 ◽

Vol 72 (4) ◽

Cited By ~ 47

Author(s):

Y. Mokrousov ◽

G. Bihlmayer ◽

S. Blügel

Keyword(s):

Plane Wave ◽

Full Potential ◽

Wave Method ◽

Gold Nanowire ◽

Augmented Plane Wave ◽

One Dimensional ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method

Physical Review B ◽

10.1103/physrevb.43.6411 ◽

1991 ◽

Vol 43 (8) ◽

pp. 6411-6422 ◽

Cited By ~ 228

Author(s):

Rici Yu ◽

D. Singh ◽

H. Krakauer

Keyword(s):

Plane Wave ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

Calibration of the isomer shift for the14.4−keVtransition inFe57using the full-potential linearized augmented plane-wave method

Physical Review B ◽

10.1103/physrevb.76.155118 ◽

2007 ◽

Vol 76 (15) ◽

Cited By ~ 68

Author(s):

U. D. Wdowik ◽

K. Ruebenbauer

Keyword(s):

Plane Wave ◽

Isomer Shift ◽

Full Potential ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Linearized Augmented Plane Wave

Download Full-text

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 ◽

Cited By ~ 67

Author(s):

Ding-sheng Wang ◽

A. J. Freeman ◽

H. Krakauer ◽

M. Posternak

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Surface States ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Self Consistent ◽

Linearized Augmented Plane Wave

Download Full-text

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 ◽

Cited By ~ 1

Author(s):

S. Goedecker

Keyword(s):

Electronic Structure ◽

Plane Wave ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Augmented Plane Wave Method ◽

Electronic Structure Methods ◽

Linearized Augmented Plane Wave

Download Full-text