@Article{CiCP-18-167,
author = {},
title = {On the "Preconditioning" Function Used in Planewave DFT Calculations and Its Generalization},
journal = {Communications in Computational Physics},
year = {2018},
volume = {18},
number = {1},
pages = {167--179},
abstract = {<p style="text-align: justify;">The Teter, Payne, and Allan &quot;preconditioning&quot; function plays a significant
role in planewave DFT calculations. This function is often called the TPA preconditioner.
We present a detailed study of this &quot;preconditioning&quot; function. We develop a
general formula that can readily generate a class of &quot;preconditioning&quot; functions. These
functions have higher order approximation accuracy and fulfill the two essential &quot;preconditioning&quot;
purposes as required in planewave DFT calculations. Our general class
of functions are expected to have applications in other areas.</p>},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.060314.120215a},
url = {http://global-sci.org/intro/article_detail/cicp/11023.html}
}