Dear all QE user,
I'd like to calculate the XRD spectra of a zirconia supercell... I've read
about the Xspectra package.
Do you know if it runs also with ultrasoft pseudopotential like, e.g.
Zr.pbe-nsp-van.UPF? And otherwise, how do I buil the gipaw pseudopotential
suitable for that?
Thanks in advance,
Tommaso Francese,
Universit? C? Foscari of Venice
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