[Pw_forum] Xspectra

Tommy neutrinofrancese at gmail.com
Thu Jun 26 19:08:20 CEST 2014


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,
Università Cà Foscari of Venice
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