[Wien] need help

idris.09 idris idris.09 at gmail.com
Mon Jan 14 14:05:10 CET 2013


Dear user of wien2k i need help as i am not able to define a structure file
for full heusler alloy X2YZ (space group 225) type structure. where x is at
(000) and (1/2,1/2,1/2, ). Y atoms at (1/4,1/4,1/4) and Z atoms occupy
(3/4,3/4,3/4) positions. when i define these positions and click to view
structure it displays wrong structure. however it define the same structure
for space group 216. but i need the structure file with space group 225.
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