modified on 17 March 2011 at 16:50 ••• 2,631 views

P2

From NWChem

Jump to: navigation, search
group number                 = 3
group name                   =         P2
crystal system               = Monoclinic
setting number               = 1
number of symmetry operators = 2

+x,+y,+z
-x,+y,-z

= 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
group number                 = 3
group name                   =         P2
crystal system               = Monoclinic
setting number               = 2
number of symmetry operators = 2

+x,+y,+z
-x,-y,+z

= 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