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ForwardDiff with temperature does not work

Status: Open.

#1155 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Sep 23, 2025

Optimize diagtol

Status: Open.

#1154 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Sep 23, 2025

Homogeneous field response (eg macroscopic dielectric constant)

Status: Open.

#1138 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Aug 27, 2025

TDDFT

Status: Open.

#1137 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Aug 27, 2025

Tweak kinetic energy preconditionner

Status: Open.

#1136 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Aug 27, 2025

<code>forces.jl</code> test fails

testingTest system and test improvementsTest system and test improvements

Status: Open.

#1130 In JuliaMolSim/DFTK.jl;

· abussy opened on Aug 8, 2025

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