JTH PAW atomic datasets table - v0.1
On this page you can find files containing PAW atomic datasets for ABINIT.
All these PAW datasets of this
JTH table have been generated by F. Jollet, M. Torrent and N. Holzwarth with
ATOMPAW 3.1.0.2 .
They have been validated in
ABINIT against
all-electron calculations using the
delta package.
Right now, only GGA-PBE datasets are provided; LDA datasets coming soon...
All the datasets are in XML format according to specifications making them readable by several codes.
Although the PAW atomic datasets present on this page have been carefully tested, they are provided without warranty.
Users should test them adequately before using them in their applications.
GGA-PBE datasets
Download the entire dataset table:
PBE
Last modification : september 26, 2013
