DFTK: The Density-functional toolkit

Zenodo (CERN European Organization for Nuclear Research)

Abstract

DFTK v0.6.2 Diff since v0.6.1 This release has been identified as a backport. Automated changelogs for backports tend to be wildly incorrect. Therefore, the list of issues and pull requests is hidden. <!-- **Merged pull requests:** - Implement more flexible Fermi level algorithm interface (#792) (@mfherbst) - Add simplistic time per SCF step printing (#806) (@mfherbst) - Add precompilation (#809) (@antoine-levitt) **Closed issues:** - Latency (#402) - LDOS mixing for non-monotonic smearings (#787) -->

Authors 3

1. Michael F. Herbst Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

2. Antoine Levitt

   Centre Inria de Paris

   Affiliation as printed

   Inria Paris

3. Éric Cancès

   École nationale des ponts et chaussées · CERMICS

   Affiliation as printed

   CERMICS, Ecole des Ponts