[QE-users] PBESOL pseudopotential for Y

[Mohammad Moaddeli]

Dear all developers,

I am working on a LiCoO2 structure. the following pseudopotentials are used
in the input file:

Co       59.0     Co.pbesol-spn-rrkjus_psl.0.3.1.UPF
O        15.999   O.pbesol-n-rrkjus_psl.1.0.0.UPF
Li       6.941    Li.pbesol-sl-rrkjus_psl.1.0.0.UPF

I want to study the electronic properties of the system with an Yttrium
dopant. However, there is not any PBESOL pseudopotential for Y on
PSlibrary. Would you please provide the PBESOL pseudo for Y?
Is it appropriate to use the y_pbesol_v1.4.uspp.F.UPF pseudo from SSSP on
Materials Cloud alongside with pbesol pseudos from PSlibrary?

With best regards

Mohammad Moaddeli
ShirazU
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