[Pw_forum] how to build a I43-d structure in pwscf?

[Wei Zhou]

hello ,
       I want to build a body center unit cell with 16 atoms in convention
cell , 8 atoms in primitive cell, it has the I-43d group space with wyckoff
16c,and have a fractional coordinates( 0.044 0.044 0.044),however ,I can not
build it with pwscf correctly .would some one help me? any help will be
appreciated
best wishes
 the basic vector and crystal coordination  of atoms are writed as follow
primitive cell,
      -4.999999999999993       5.000000000000001       5.000000000000004
       5.000000000000001      -5.000000000000002       4.999999999999996
       5.000000000000000       4.999999999999999      -4.999999999999999


coordination
   0.0880000293254852   0.0880000293254852   0.0880000293254852
   0.4999999999999999   0.9999999999999998   0.4119999706745147
   1.0000000000000000   0.4119999706745149   0.4999999999999999
   0.4119999706745147   0.4999999999999998   0.9999999999999998
   0.5880000293254851   0.5880000293254851   0.5880000293254851
   1.5000000000000000   1.0000000000000000   0.9119999706745148
   0.9119999706745149   1.5000000000000000   0.9999999999999999
   0.9999999999999999   0.9119999706745147   1.4999999999999998
.
-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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