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HGH cleanup

Status: Open.

#1064 In JuliaMolSim/DFTK.jl;

· raphaelzstone opened on Feb 17, 2025

No way to plot bands written by save_bands

Status: Open.

#1052 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jan 29, 2025

Saving scfres to JSON should pretty-print

Status: Open.

#1048 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Jan 15, 2025

Stress computation can use a lot of RAM

Status: Open.

#1032 In JuliaMolSim/DFTK.jl;

· Technici4n opened on Dec 10, 2024

Multi-threading multiplication with Hamiltonian blocks yields wrong results

Status: Open.

#1017 In JuliaMolSim/DFTK.jl;

· jonas-pueschel opened on Nov 13, 2024

Store form factors

Status: Open.

#1009 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Oct 18, 2024

Should Model directly subtype AbstractSystem?

discussionDiscussion thread of broader scopeDiscussion thread of broader scope

Status: Open.

#1007 In JuliaMolSim/DFTK.jl;

· rkurchin opened on Oct 14, 2024

PAW

Status: Open.

#987 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jul 9, 2024

Fast Bessel transform?

Status: Open.

#986 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on Jul 9, 2024

Eigensolver not converged

bugSomething isn't workingSomething isn't working

Status: Open.

#979 In JuliaMolSim/DFTK.jl;

· mfherbst opened on Jun 5, 2024

compute_bands doesn't work for a non-atomic system in 3D.

bugSomething isn't workingSomething isn't working

Status: Open.

#976 In JuliaMolSim/DFTK.jl;

· JaydevSR opened on May 24, 2024

Threading + MPI

Status: Open.

#974 In JuliaMolSim/DFTK.jl;

· antoine-levitt opened on May 23, 2024