Software Open Access
DFTK: The Density-functional toolkit
Herbst, Michael F.;
Levitt, Antoine;
Cancès, Eric
DFTK v0.6.7
Closed issues:
- Remove remaining ASE-dependent code (#756)
- Mixed Reduced and Cartesian coords in apply_symop ? (#837)
- Precompilation causes warning (#843)
- Rounding issues cause bad wannier interface (#844)
- how to customize/define an xc functional (#848)
Merged pull requests:
- Less ambiguous SymOp doc (#840) (@epolack)
- Fix LAPACK non-orthogonality (#842) (@antoine-levitt)
- Fix rounding in symmetry (#845) (@antoine-levitt)
- Precompilation warning (#846) (@antoine-levitt)
Cite this paper whenever you use DFTK.
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JuliaMolSim/DFTK.jl-v0.6.7.zip
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- Publication date:
- April 14, 2023
- DOI:
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- Related identifiers:
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- License (for files):
- MIT License