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Published December 28, 2024 | Version v0.7.5
Software Open

DFTK: The Density-functional toolkit

Creators

  • 1. École Polytechnique Fédérale de Lausanne
  • 2. IMO, Université Paris-Saclay
  • 3. CERMICS, École des Ponts

Description

DFTK v0.7.5

Diff since v0.7.4

Merged pull requests:

  • Be more conservative when selecting initial number of bands (#1038) (@mfherbst)
  • Expose supersampling in PlaneWaveBasis interface (#1041) (@mfherbst)
  • Small updates to harmonise with new PseudoLibrary (#1042) (@mfherbst)

Notes

Cite this paper whenever you use DFTK.

Files

JuliaMolSim/DFTK.jl-v0.7.5.zip

Files (2.8 MB)

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md5:b576765cc5a826e71c8df5ad2e95b91c
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Additional details

Related works

Is supplement to
Software: https://github.com/JuliaMolSim/DFTK.jl/tree/v0.7.5 (URL)

Software

Repository URL
https://github.com/JuliaMolSim/DFTK.jl