[Wien] k-points of doped material
Seyyed Amir Abbas Emami
a.a.emami at birjand.ac.ir
Sun Jul 26 06:58:08 CEST 2015
Yes
I am working on X2YZ heusler with Fm-3m spacegroup.I am trying to create X2YZ 0.5 R 0.5 structure. When i run the supercell by 1*1*1 cell it convert to P spacegroup with separated position.After x sgroup running it change to P4/mmm structure. Now is the second one bigger? and did it need to less k-points (how many)? how can i find that the second one is bigger?
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