Data set _ Suggested GGA / Partial Electron Density

[Dipankar Saha]

Hello,

1) For Plane Wave Calculator _QATK2019.12, if we select PAW pseudopotential method, we find various data sets as_
a) GPAW GGA
b) JTH GGA
c) Suggested GGA.

How are those different?


2) What is 'Partial Electron Density'?

Thanks and Regards_
Dipankar Saha

[Petr Khomyakov]

Regarding #1, see Table 13 and references therein at https://docs.quantumatk.com/manual/technicalnotes/atk_pseudo_basis/atk_pseudo_basis.html.

Regarding #2, see the manual at https://docs.quantumatk.com/manual/Types/PartialElectronDensity/PartialElectronDensity.html.

[Dipankar Saha]

Thank you !