CCL: DFT Popularity Poll 2019: the 10th edition!
- From: "Marcel Swart"
- Subject: CCL: DFT Popularity Poll 2019: the 10th edition!
- Date: Fri, 7 Jun 2019 08:09:59 -0400
Sent to CCL by: "Marcel Swart" [marcel.swart]-[gmail.com]
the annual DFT Popularity Poll has started again. And this year it is a special
because it is the tenth edition!
After discussing the results of the previous editions, and seeing the
between the Primera/Segona Divisi, and the Properties (3rd question), we decided
to go back to the roots, and discard the 3rd question (Properties).
For instance, the winner of 2018 (PBE) is found at positions 19-31 (out of 40),
for the 11 properties of the 3rd question, which is inconsistent.
As discussed on CCL by Tom Manz, the popularity of a density functional
is not just the result of its accuracy, but also other factors play a role
(ease of convergence, availability, computational expense, etc.):
Since the accuracy of the DFAs can be found in reviews in the literature (as
http://www.marcelswart.eu/dft-poll/reviews.html), we think
that the basic focus on
popularity of DFAs is well suited for the popularity poll to probe the
the computational chemistry and physics communities, and compile the quality of
the average DFT computation.
The survey can be found at:
The results for the 2018 poll, including the data for all functionals, can be