modified on 17 March 2011 at 18:41 ••• 1,612 views

P4bm

From NWChem

Revision as of 18:41, 17 March 2011 by Bylaska (Talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
group number                 = 100
group name                   =       P4bm
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 8

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

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

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

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

= operator 7 =
 0.0 -1.0 0.0 0.5
 -1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.0

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