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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