modified on 18 March 2011 at 13:18 ••• 1,476 views

P4 12 12

From NWChem

Jump to: navigation, search
group number                 = 92
group name                   =   P4_12_12
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 8

+x,+y,+z
-x,-y,+z+1/2
-y+1/2,+x+1/2,+z+1/4
+y+1/2,-x+1/2,+z+3/4
-x+1/2,+y+1/2,-z+1/4
+x+1/2,-y+1/2,-z+3/4
+y,+x,-z
-y,-x,-z+1/2

= operator 1 =
 1.0 0.0 0.0 0.0
 0.0 1.0 0.0 0.0
 0.0 0.0 1.0 0.0

= operator 2 =
 -1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.5

= operator 3 =
 0.0 -1.0 0.0 0.5
 1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.25

= operator 4 =
 0.0 1.0 0.0 0.5
 -1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.75

= operator 5 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 0.25

= operator 6 =
 1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 0.5
 0.0 0.0 -1.0 0.75

= operator 7 =
 0.0 1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.0

= operator 8 =
 0.0 -1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.5