: a full table of validated PAW atomic data validated against all-electron calculations. !
The PAW atomic data present on this page are provided without any guarantee.
Users must carefully test them adequately before using them in their applications.
Browse down the sub-directories and start a download procedure that will transfer a text file containing PAW atomic data.
Note : The size of the file may vary between 100 kB and 500 kB.
- AtomPAW atomic data generator
AtomPAW is a PAW atomic data generator initially written by
directly related to PWPAW code.
From ABINIT v6.8, it is integrated in ABINIT package as a plugin.
You can find here all that you need to generate your own atomic data files using AtomPAW.
- USPP atomic data generator
USPP is an ultra-soft pseudopotentials generator written by
A patch (USpp2Abinit) has been written to make it produce atomic data files directly usable by ABINIT.
You can find here all that you need to generate your own atomic data files using USPP.
For experts: a comparison between AtomPAW and USPP input files.