Dear pwscf users, i want to calculate the spin Hall Effect in hole doped GaAs. however,we do not know how to set atomic positions. for example,in the GaAs system scf calculation , I set the atomic position as follows: Ga 0 0 0 As 0.25 0.25 0.25 but how can I do if I want to add two vacant( 0.5 0.5 0.5) (0.75 ,0.75 0.75) in the GaAs scf calculation?
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