Dielctric functions calculated within LDA+U RPA framework using GPAW code

Published: 31 January 2020| Version 1 | DOI: 10.17632/5cw4fcc296.1
Contributor:
Leon Avakyan

Description

LDA+U approach allows to estimate dielectric functions of d-metals with high precision. The python script (*.py file) provides an example of calculation. Calculated dielectric functions are also uploaded as *.dat files. The *.cif files are the crystallographic data obtained from COD required to reproduce the calculations.

Files

Categories

Condensed Matter Physics, Plasmonic Metamaterials

Licence