HUBBARD {ortho-atomic}
U Sn-2p 0.5


I guess you should target 5p orbitals, not 2p. Nomenclature can vary between files (and different codes used to generate them), but you can always check in the UPF files what the valence orbitals have been called.

hth



Regards
Priyanka

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The Quantum ESPRESSO community stands by the Ukrainian
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Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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  • [QE-us... Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU) via users
    • R... Lorenzo Paulatto

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