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Symmetries and response

Status: Open.

#1342 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jul 12, 2026

Time to first solve and speeding up CI

Status: Open.

#1341 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jul 11, 2026

Separate wavefunction and density grids

Status: Open.

#1334 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jun 30, 2026

Speedup XC instantiation by cutting NLCCs

performancePerformance regression or performance-relatedPerformance regression or performance-related

Status: Open.

#1332 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jun 24, 2026

Better multithreading in basis construction

Status: Open.

#1326 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jun 17, 2026

Refactor coulomb.jl

Status: Open.

#1322 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jun 12, 2026

Store symmetry group metadata in Model to avoid re-passing magnetic_moments

Status: Open.

#1307 In JuliaMolSim/DFTK.jl;

· niklasschmitz opened on Apr 19, 2026

MPI and geometry optimization

Status: Open.

#1295 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Apr 3, 2026

Pre-compilation is mostly broken on GPUs

Status: Open.

#1278 In JuliaMolSim/DFTK.jl;

· abussy opened on Mar 3, 2026

Making noncollinear calculation (spin_polarization=:full) enabled/supported

Status: Open.

#1272 In JuliaMolSim/DFTK.jl;

· physarief78 opened on Feb 28, 2026

Should PSP functions be vectorized by default?

Status: Open.

#1270 In JuliaMolSim/DFTK.jl;

· abussy opened on Feb 26, 2026

Consider using SphericalBesselTransforms.jl for log-grid pseudos

good second issue

Status: Open.

#1258 In JuliaMolSim/DFTK.jl;

· azadoks opened on Feb 19, 2026