modified on 17 March 2011 at 16:23 ••• 1,869 views

Pnn2

From NWChem

Jump to: navigation, search
group number                 = 34
group name                   =       Pnn2
crystal system               = Orthorhombic
setting number               = 1
number of symmetry operators = 4

+x,+y,+z
-x,-y,+z
+x+1/2,-y+1/2,+z+1/2
-x+1/2,+y+1/2,+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 0.0

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

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