[QE-users] Unable to calculate correct Point group and Character Table

[Ankit Sharma]

Hi,
While running dft calculations for Gallium oxide, I found that the point
group calculated for the system is not the same as that calculated using
the Bilbao Crystallographic Server. I am expecting the point group to be
D3d(-3m) but the QE output is S6(-3).
I also tried changing the 'accep' variable in the symm_base.f90 file, but I
still do not see the correct point group.
Attached is the cif file and the pwscf input file.
Thank you for the help.

Ankit Sharma
University at Buffalo
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