Search results

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

Status: Open.

#1258 In JuliaMolSim/DFTK.jl;

· azadoks opened on Feb 19, 2026

Implement symmetries for phonon calculation

Status: Open.

#1249 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Feb 8, 2026

Bands Unfolding Technique for DFTK.jl

Status: Open.

#1235 In JuliaMolSim/DFTK.jl;

· physarief78 opened on Jan 20, 2026

Implement the computation of periodic green functions

Status: Open.

#1229 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jan 15, 2026

Implement a simple div(a grad u)=f solve

Status: Open.

#1227 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jan 14, 2026

Direct minimization is wrong in the presence of symmetries?

bugSomething isn't workingSomething isn't working

Status: Open.

#1226 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jan 14, 2026

Test refactoring: @testmodule opacity

testingTest system and test improvementsTest system and test improvements

Status: Open.

#1225 In JuliaMolSim/DFTK.jl;

· abussy opened on Jan 13, 2026

Faster documentation building by decoupling Literate.jl and Documenter.jl

Status: Open.

#1206 In JuliaMolSim/DFTK.jl;

· nathanaelbosch opened on Dec 12, 2025