Software Open Access
DFTK: The Density-functional toolkit
Herbst, Michael F.;
Levitt, Antoine;
Cancès, Eric
DFTK v0.6.3
Closed issues:
- Latency (#402)
- LDOS mixing for non-monotonic smearings (#787)
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)
- Vastly improve GPU support (#813) (@mfherbst)
Cite this paper whenever you use DFTK.
Files
(857.2 kB)
| Name | Size | |
|---|---|---|
|
JuliaMolSim/DFTK.jl-v0.6.3.zip
md5:4fd72c41e825bb81366d6e11d9d5ef06 |
857.2 kB | Download |
1,080
150
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 1,080 | 6 |
| Downloads | 150 | 1 |
| Data volume | 73.1 MB | 857.2 kB |
| Unique views | 950 | 5 |
| Unique downloads | 59 | 1 |
Available in
Indexed in
Indexed in
- Publication date:
- January 30, 2023
- DOI:
-
- Related identifiers:
- Supplement to
- License (for files):
- MIT License