U-Actinides

Published: 8 July 2019| Version 1 | DOI: 10.17632/784tzvwwx8.1
Contributor:
Ruizhi Qiu

Description

This data include the linear response calculation of the effective Coulomb interaction in actinides and the DFT+U calculation of bulk properties of actinide metal.

Files

Steps to reproduce

One can run the scripts to obtain all the results by calling the code VASP

Categories

DFT Method Application

Licence