All these PAW datasets of this JTH table have been generated by F. Jollet, M. Torrent and N. Holzwarth with ATOMPAW 126.96.36.199 .
They have been validated in ABINIT against all-electron calculations using the delta package.
The results are published here.The Δ-factor (resp. Δ1-factor) factors have been calculated for each element.
Curent average values of these indicators:
Right now, only GGA-PBE datasets are provided; LDA datasets coming soon...
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.Note : The size of the file may vary between 100 kB and 500 kB.
Last modification : september 26, 2013