[Wien] Reg: Parity determination using x irrep

sree parvathy sree89parvathy at gmail.com
Tue Oct 10 12:12:52 CEST 2017


Dear all,

I am trying to determine the parity of wavefunction at particular k points
(TRIM points), using x irrep.  At Gamma point i could see the irreducible
representation successfully for each band, but for some point like (0.5, 0,
0)  i am facing problem,
  instead of showing each band details it is written that ' WILL BE
IMPLEMENTED'.
Please help me in this regard.  My system has inversion symmetry.
Thank you

Sreeparvathy P. C
Research scholar
IIT Hyderabad
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