" PAW datasets are not yet supported."

[mmarchywka]

As part of re-learning JDFTX, I was trying to reproduce some recent literature results with 1.7.0.
Flat bands have a lot of interesting features so I picked this to start,

https://www.nature.com/articles/s41535-024-00632-8#ref-CR60

The Co pseudopotential had to be converted with upf2upf2 which shouldn't be a big
deal except apparently it was not included with qe 7.3 I had to go
get 6.4 and build it separately. The problem however appears
to be with the Sm

Reading pseudopotential file './Sm.GGA-PBESOL-paw.UPF':
'Sm' pseudopotential, 'SLA PW PSX PSC' functional
Generated using ATOMPAW code
Author: Date: 12/23/2014, 15:05:11.134.
PAW datasets are not yet supported.
End date and time: Mon Nov 4 15:23:29 2024 (Duration: 0-0:00:00.62)
Failed.

Sm.GGA-PBESOL-paw.UPF.gz

What is the current status related to this?

Thanks.

[shankar1729]

Just use the ultrasoft version of that same pseudopotential, likely from here: https://www.materialscloud.org/discover/sssp/table/efficiency. See https://www.materialscloud.org/discover/sssp/plot/efficiency/Sm for example too, the US version seems more accurate than the PAW one (marginally) for the pure element equation of state.