Dear Prof Blaha I have a question related to the symmery of the lattice of GaS. It is reoprted that GaS has a hexagonal crystal structure with space group P63mmc (No. 194). Both the Ga and S atoms ocuupy the 4f site. However, the sgroup of the Wien2k determines the structure to be in space group P3m1 (156).
I igonred the proposed structure but why it is not detecting the space group P63mmc?. Tha structure file is attached. Best wishes O A Yassin
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