Published April 21, 2021
| Version v0.2.8
Software
Open
JuliaMolSim/DFTK.jl: v0.2.8
Creators
- 1. @ACoM-Computational-Mathematics, RWTH Aachen University
- 2. Q-Chem
Description
DFTK v0.2.8
Closed issues:
- Energy Calculation Discrepency Between Primitive Cell and Conventional Cell (#421)
Merged pull requests:
- CompatHelper: bump compat for "MPI" to "0.17" (#420) (@github-actions[bot])
- Add a nice introductory DFT reference article (#422) (@mfherbst)
- Documentation for supported input and output formats (#423) (@mfherbst)
- Collinear spin GGA kernel (#424) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.2.8.zip
Files
(567.4 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.8 (URL)