modified on 18 March 2011 at 13:21 ••• 1,676 views

P4 2cm

From NWChem

Revision as of 13:21, 18 March 2011 by Bylaska (Talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
group number                 = 101
group name                   =     P4_2cm
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 8

+x,+y,+z
-x,-y,+z
-y,+x,+z+1/2
+y,-x,+z+1/2
+x,-y,+z+1/2
-x,+y,+z+1/2
-y,-x,+z
+y,+x,+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 =
 0.0 -1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.5

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

= operator 5 =
 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 6 =
 -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 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 0.0