There is a newer version of the record available.

Published November 5, 2022 | Version v0.5.14
Software Open

DFTK: The Density-functional toolkit

Creators

  • 1. RWTH Aachen University
  • 2. Inria Paris
  • 3. CERMICS, Ecole des Ponts

Description

DFTK v0.5.14

Diff since v0.5.13

Merged pull requests:

  • Ewald with ForwardDiff and merge (#774) (@epolack)
  • add a keyword argument to plot_dos to support user-defined unit (#776) (@kunyuan)
  • Warn for slated pymatgen removal (#778) (@mfherbst)

Notes

Cite this paper whenever you use DFTK.

Files

JuliaMolSim/DFTK.jl-v0.5.14.zip

Files (846.4 kB)

Name Size Download all
md5:8554763d76353b71c31709560ca473f2
846.4 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.5.14 (URL)