PAW atomic data for ABINIT code
You can find on this page pre-built data files containing PAW atomic data for ABINIT
(v5.4.x+) and utilities
to produce your own.
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.
Clicking on a highlighted element in the periodic table will bring you into a directory
corresponding to the selected chemical element.
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.
Generating PAW atomic data for ABINIT
We strongly recommend that users produce their own PAW atomic data.
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
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
all that you need to generate your own atomic data files using USPP.
Last modification : september 30th 2013