Herbst, Michael F.
Levitt, Antoine
Cancès, Eric
2023-01-30
DFTK v0.6.3
<p><a href="https://github.com/JuliaMolSim/DFTK.jl/compare/v0.6.1...v0.6.3">Diff since v0.6.1</a></p>
<p><strong>Closed issues:</strong></p>
<ul>
<li>Latency (#402)</li>
<li>LDOS mixing for non-monotonic smearings (#787)</li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Implement more flexible Fermi level algorithm interface (#792) (@mfherbst)</li>
<li>Add simplistic time per SCF step printing (#806) (@mfherbst)</li>
<li>Add precompilation (#809) (@antoine-levitt)</li>
<li>Vastly improve GPU support (#813) (@mfherbst)</li>
</ul>
Cite this paper whenever you use DFTK.
https://doi.org/10.5281/zenodo.7586588
oai:zenodo.org:7586588
Zenodo
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.6.3
https://doi.org/10.5281/zenodo.3541724
info:eu-repo/semantics/openAccess
MIT License
https://opensource.org/licenses/MIT
DFTK: The Density-functional toolkit
info:eu-repo/semantics/other