[Wien] Reg: Parity analysis at TRIM points

2017-10-11 Thread sree parvathy
Dear all, I have a basic question regarding parity analysis at particular TRIM point with spin orbit coupling. At one of the TRIM point (0 0 0), i am getting 4-fold degeneracy , and in case.outputirso we can see that few bands are skipped because of degeneracy. My doubt is regarding the total

[Wien] Reg: Parity determination using x irrep

2017-10-10 Thread sree parvathy
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