[QE-users] Capability of calculating pw.x on mixed perovskite, e.g. CsSnI(3-x)Br(x)

[Chan, Edmund]

Dear everyone,

First of all, thank you for providing the Quantum Espresso workshop. I am wondering if pw.x is able to calculate a mixed material together with a formula like, CsSnI3-xBrx when x is between 0 and 1. Could anyone give me a brief direction on that, please? Thanks a lot.


Kind regards,

Edmund

________________________________________________
Edmund Chan
PhD Renewable Energy Student
Environment & Sustainability Institute
College of Engineering, Mathematics and Physical Sciences
University of Exeter, Penryn Campus
Penryn, Cornwall
TR10 9FE

Tel: +44 (0)7455 235 701
Email: thc208 at exeter.ac.uk<mailto:thc208 at exeter.ac.uk>
LinkedIn: https://uk.linkedin.com/in/edmundchan1
[uoe]

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