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Phonon frequencies wrong?

Status: Open.

#1111 In JuliaMolSim/DFTK.jl;

· thomsen59 opened on Jun 17, 2025

Proposal to replace <code>direct_minimization</code> and switch to Manopt solvers

Status: Open.

#1102 In JuliaMolSim/DFTK.jl;

· kellertuer opened on May 23, 2025

No symmetries for Γ-point calculations

Status: Open.

#1095 In JuliaMolSim/DFTK.jl;

· abussy opened on May 15, 2025

Ultrasoft Pseudopotentials

Status: Open.

#1092 In JuliaMolSim/DFTK.jl;

· Technici4n opened on May 14, 2025

Adaptive basis refinement

discussionDiscussion thread of broader scopeDiscussion thread of broader scope

Status: Open.

#1087 In JuliaMolSim/DFTK.jl;

· gkemlin opened on Apr 29, 2025

Automatic guess of initial magnetic_moments

Status: Open.

#1086 In JuliaMolSim/DFTK.jl;

· niklasschmitz opened on Apr 14, 2025

Flaky tests

discussionDiscussion thread of broader scopeDiscussion thread of broader scope

testingTest system and test improvementsTest system and test improvements

Status: Open.

#1083 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Mar 14, 2025

Threading perfomance suboptimal

Status: Open.

#1070 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Feb 26, 2025

Deadlock when using MPI with Python packages and DFTK

documentationCorrecting or expanding documentationCorrecting or expanding documentation

Status: Open.

#1067 In JuliaMolSim/DFTK.jl;

· simonganne01 opened on Feb 24, 2025

Band structure calculations and SCF restarts wrong for meta-GGA functionals (partial fix available)

bugSomething isn't workingSomething isn't working

Status: Open.

#1065 In JuliaMolSim/DFTK.jl;

· aouinaayoub opened on Feb 20, 2025

HGH cleanup

Status: Open.

#1064 In JuliaMolSim/DFTK.jl;

· raphaelzstone opened on Feb 17, 2025

No way to plot bands written by <code>save_bands</code>

Status: Open.

#1052 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jan 29, 2025