2012年4月3日星期二

FCC broulin zone


Brillouin zone

Fm-3m-Oh5 (225) to Fd-3c- Oh8(228)

Reciprocal space group (Im-3m)*, No.229


Brillouin zone


k-vector descriptionWyckoff PositionITA description
CDML*Conventional-ITAITACoordinates
LabelCoordinates
GM0,0,00,0,0a2m-3m0,0,0
X1/2,0,1/20,1,0b64/mm.m0,1/2,0
L1/2,1/2,1/21/2,1/2,1/2c8.-3m1/4,1/4,1/4
W1/2,1/4,3/41/2,1,0d12-4m.21/4,1/2,0
DTu,0,u0,2u,0e124m.m0,y,0 : 0 < y < 1/2
LDu,u,uu,u,uf16.3mx,x,x : 0 < x < 1/4
V1/2,u,1/2+u2u,1,0g24mm2..x,1/2,0 : 0 < x < 1/4
SMu,u,2u ex2u,2u,0h24m.m2x,x,0 : 0 < x <= 3/8
S1/2+u,2u,1/2+u ex2u,1,2uh24m.m2x,1/2,x : 0 < x < 1/8
S~SM1=[K M]h24m.m2x,x,0 : 3/8 < x < 1/2
SM SM1=[GM M]h24m.m2x,x,0 : 0 < x < 1/2
Q1/2,1/4+u,3/4-u1/2,1-2u,2ui48..21/4,1/2-y,y : 0 < y < 1/4
Au,-u+v,v ex-2u+2v,2u,0j48m..x,y,0 : 0 < x < y <= 3/8 U
U x,y,0 : 0 < x < 3/4-y < y < 1/2
B1/2+u,u+v,1/2+v ex2v,1,2uj48m..x,1/2,z : 0 < z < x <= 1/4-z
B~B1=[K M W]j48m..x,y,0 : 3/4-y <= x < y < 1/2
A B1=[GM M X]j48m..x,y,0 : 0 < x < y < 1/2
Cu,u,v exv,v,-v+2uk48..mx,x,z : 0 < z < x <= 3/8-z/2
Ju,v,u[GMXUL] exv,-v+2u,vk48..mx,y,x : 0 < x < y <= 1/2-x U
U x,y,x : 1/4 < y < 1/2, 1/2-y < x < 3/8-y/2
J~J1=[GM L X3] + [L K M]k48..mx,x,z : 0 < x < z <= 1/2-x U
U x,x,z : 0 < z < 1/4, 3/8-z/2 < x < 1/2-z
C + J1=[GM M X3] \ [GM L]k48..mx,x,z : 0 < z < 1/2 -x < 1/2, x!= z
GPu,v,w-u+w+v,u+w-v,u-w+vl961x,y,z : 0 < z < x < y < 1/2-x U
U x,y,z : 0 < z < 1/2-y < x < y < 1/2 U
U x,y,1/2-y : 1/4 < y < 1/2; 1/2-y < x < 1/4.

vasp KPOINTS 
-------------------------------------

0 0 0 Gamma
0.5 0 0.5 X


0.5 0 0.5 X
0.5 0.25 0.75 W


0.5 0.25 0.75 W
0.375 0.375 0.75 K


0.375 0.375 0.75 K
0 0 0


0 0 0
0.5 0.5 0.5 L


0.5 0.5 0.5 L
0.5 0.25 0.75 W


0.5 0.25 0.75 W
0.625 0.25 0.625 U


0.625 0.25  0.625 U
0.5   0     0.5  X
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