Published August 16, 2022
| Version v0.5.6
Software
Open
JuliaMolSim/DFTK.jl: v0.5.6
Creators
- Michael F. Herbst1
- Antoine Levitt2
- Gaspard Kemlin
- Niklas Schmitz
- Étienne Polack3
- Chuin Wei Tan
- Jae-Mo Lihm4
- ssirajdine
- Jeremiah DeGreeff
- Anant Thazhemadam5
- Austin Zadoks
- Deeptendu Santra
- Eric Berquist6
- Gabriel Birnbaum7
- cyborg1995
- Harmen Stoppels
- Harry LaBollita8
- Kevin Octavian
- Laurent Vidal
- Louis Ponet
- tzsuzsi
- 1. ACoM, RWTH Aachen University
- 2. Inria Paris
- 3. École des Ponts & Inria
- 4. Seoul National University
- 5. @JuliaComputing
- 6. Q-Chem
- 7. Substack
- 8. Arizona State University
Description
DFTK v0.5.6
Closed issues:
- Overly excessive
n_bandsby default for spin-polarised calculations (#692)
Merged pull requests:
- DFTK Juliacon demo code (#677) (@mtowara)
- Overhaul docs organisation (#684) (@antoine-levitt)
- Reduce default number of bands for spin-polarised (#693) (@mfherbst)
- Fix dual handling for parametrised functionals (#699) (@mfherbst)
- Typo in dos.jl (#702) (@gkemlin)
- Zygote scf merge (#705) (@mtowara)
- Update to next spglib (#707) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.5.6.zip
Files
(625.7 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.5.6 (URL)