I was trying to calculate the parity at TRIM points and i have extracted the data of WAVECAR file using WAVETRANS code. I am getting GCOEFF file, but i am unable to find the parity. Can somebody please help me for the same. I would be very thankful to you.
Please find the attached GCOEFF file and KPOINTS path for band structure calculations is
0 0 0 ! G
0.5 0 0 ! M
0.5 0 0 ! M
0.333 -0.333 0 ! K
0.333 -0.333 0 ! K
0 0 0 ! G
Parity using WAVECAR?
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sandeep.kumar
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Re: Parity using WAVECAR?
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