By linear-response U approach, It can be found using the bare and self-consistent response functions from linear regression of the relationship between the occupations that result from a range of rigid potential shifts, alpha.
http://hjkgrp.mit.edu/content/calculating-hubbard-u
Mahdi Darvishi Gilan
Overview : Introduction of the problem and outline of the website DFT + U background : A short introduction of the background theory behind the effective U parameter and calculating the parameter with DFPT Self-consistent procedure : A procedure is outlined for determining an effective U parameter that is an intrinsic property of the system Examples : Two examples of calculating U parameters are given for some Strontium Titanate perovskite examples.
https://sites.psu.edu/jgoffcapstone/overview/
This website serves as a brief guide to perform calculations to obtain an effective U parameter that approximately cancels out the spurious curvature in energy vs electronic occupations that occurs as a result of the self interaction error (SIE). It is composed as:
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