JuliaMolSim/DFTK.jl: v0.2.8
- Michael F. Herbst
- Antoine Levitt
- gkemlin
- ssirajdine
- Deeptendu Santra
- Eric Berquist
- Gaurav Wasnik
- Louis Ponet
- Niklas Schmitz
- tzsuzsi
Publication date
April 2021
DOIAbstract
DFTK v0.2.8 Diff since v0.2.7 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
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