Special k-points
bcc
| Point type |
Point name |
2 π / a units |
Crystal units |
| Zone center |
Γ |
(0,0,0) |
(0,0,0) |
| Face center |
N |
(1/2,1/2,0) |
(0,0,1/2) |
| Zone corner |
H |
(1,0,0) |
(-1/2,1/2,1/2) |
|
P |
(1/2,1/2,1/2) |
(1/4,1/4,1/4) |
| Mean value |
Baldereschi |
(1/6,1/6,1/2) |
(1/4,1/4,-1/12) |
fcc
| Point type |
Point name |
2 π / a units |
Crystal units |
| Zone center |
Γ |
(0,0,0) |
(0,0,0) |
| Face center |
L |
(1/2,1/2,1/2) |
(1/2,1/2,1/2) |
|
X |
(1,0,0) |
(0,1/2,1/2) |
| Zone corner |
W |
(1/2,1,0) |
(1/4,-1/4,3/4) |
| Mean value |
Baldereschi |
(0.6223,0.2953,0) |
(0.14765,0.3115,0.4588) |
hcp
| Point type |
Point name |
(4 π / a 3½,4 π / a 3½, 2 π / c) units |
Crystal units |
| Zone center |
Γ |
(0,0,0) |
(0,0,0) |
| Face center |
A |
(0,0,1/2) |
(0,0,1/2) |
|
M |
(1/2,0,0) |
(1/2(1-3-½),0,0) |
| Zone corner |
H |
(1/3,1/3,1/2) |
(1/3(1-3-½),2/3 3½,1/2) |
William Parker
Department of Physics
the Ohio State University
Created by: wparker at mps dot ohio dash state dot edu
Last Modified:
