modified on 17 March 2011 at 15:03 ••• 1,798 views

Pma2

From NWChem

Revision as of 15:03, 17 March 2011 by Bylaska (Talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
group number                 = 28
group name                   =       Pma2
crystal system               = Orthorhombic
number of symmetry operators = 4

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

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

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