DFTK v0.1.6 Diff since v0.1.5 Merged pull requests: Add nonvariatonal methods and total field for energies (#268) (@antoine-levitt) More helpful messages in occupation (#269) (@mfherbst) CompatHelper: bump compat for "Optim" to "0.22" (#270) (@github-actions[bot]) Polish SCF printing and automatic diagtol selection (#271) (@mfherbst) Implement HybridMixing (#272) (@mfherbst) Bugfix: apply_kernel without functionals (#273) (@mfherbst) Various small amendments (SCF printing, GGA functionals, mixing) (#275) (@mfherbst) Some more reasonable defaults for number of bands and kgrids (#276) (@mfherbst) Add example about SCF callbacks (#277) (@mfherbst) Adding H2 geometry optimzation example (#278) (@gkemlin) Correct for subtle numerical issue when...
DFTK v0.5.8 Diff since v0.5.7 Closed issues: G_to_r/r_to_G -> ifft/fft? (#715) Type question (#724)...
DFTK v0.2.8 Diff since v0.2.7 Closed issues: Energy Calculation Discrepency Between Primitive Cell ...
DFTK v0.2.2 Diff since v0.2.1 Merged pull requests: Anyon optimization (#377) (@antoine-levitt) Use...
DFTK v0.3.5 Diff since v0.3.4 Closed issues: Fix and document conventions for response-like computa...
DFTK v0.5.5 Diff since v0.5.4 Merged pull requests: Integrate with DftFunctionals.jl (#633) (@mfher...
DFTK v0.1.4 Diff since v0.1.3 Merged pull requests: Correct type instability with atoms and other s...
DFTK v0.3.10 Diff since v0.3.9 Merged pull requests: Stresses API (#487) (@antoine-levitt) Improve ...
DFTK v0.5.9 Diff since v0.5.8 Closed issues: Dynamically adjust number of targeted bands in SCF (#5...
DFTK v0.4.6 Diff since v0.4.5 Closed issues: Use symmetrization for forces (#515) Merged pull requ...
DFTK v0.3.4 Diff since v0.3.3 Merged pull requests: interpolation from a basis to a smaller basis (...
DFTK v0.5.1 Diff since v0.5.0 Closed issues: Pretty traces (#123) Define and use cis2pi (#400) Dire...
DFTK v0.3.8 Diff since v0.3.7 Closed issues: Implement conversions between grids (#43) [WIP] Autodi...
DFTK v0.1.7 Diff since v0.1.6 Merged pull requests: Add timings to chi0 and mixing (#281) (@mfherbs...
DFTK v0.2.7 Diff since v0.2.6 Closed issues: Integrate with Xtals.jl (#389) dVol as a field (#414) ...
DFTK v0.1.10 Diff since v0.1.9 Closed issues: Bors (#81) Symmetry Issue with HCP Lattice (#307) Me...
DFTK v0.5.8 Diff since v0.5.7 Closed issues: G_to_r/r_to_G -> ifft/fft? (#715) Type question (#724)...
DFTK v0.2.8 Diff since v0.2.7 Closed issues: Energy Calculation Discrepency Between Primitive Cell ...
DFTK v0.2.2 Diff since v0.2.1 Merged pull requests: Anyon optimization (#377) (@antoine-levitt) Use...
DFTK v0.3.5 Diff since v0.3.4 Closed issues: Fix and document conventions for response-like computa...
DFTK v0.5.5 Diff since v0.5.4 Merged pull requests: Integrate with DftFunctionals.jl (#633) (@mfher...
DFTK v0.1.4 Diff since v0.1.3 Merged pull requests: Correct type instability with atoms and other s...
DFTK v0.3.10 Diff since v0.3.9 Merged pull requests: Stresses API (#487) (@antoine-levitt) Improve ...
DFTK v0.5.9 Diff since v0.5.8 Closed issues: Dynamically adjust number of targeted bands in SCF (#5...
DFTK v0.4.6 Diff since v0.4.5 Closed issues: Use symmetrization for forces (#515) Merged pull requ...
DFTK v0.3.4 Diff since v0.3.3 Merged pull requests: interpolation from a basis to a smaller basis (...
DFTK v0.5.1 Diff since v0.5.0 Closed issues: Pretty traces (#123) Define and use cis2pi (#400) Dire...
DFTK v0.3.8 Diff since v0.3.7 Closed issues: Implement conversions between grids (#43) [WIP] Autodi...
DFTK v0.1.7 Diff since v0.1.6 Merged pull requests: Add timings to chi0 and mixing (#281) (@mfherbs...
DFTK v0.2.7 Diff since v0.2.6 Closed issues: Integrate with Xtals.jl (#389) dVol as a field (#414) ...
DFTK v0.1.10 Diff since v0.1.9 Closed issues: Bors (#81) Symmetry Issue with HCP Lattice (#307) Me...
DFTK v0.5.8 Diff since v0.5.7 Closed issues: G_to_r/r_to_G -> ifft/fft? (#715) Type question (#724)...
DFTK v0.2.8 Diff since v0.2.7 Closed issues: Energy Calculation Discrepency Between Primitive Cell ...
DFTK v0.2.2 Diff since v0.2.1 Merged pull requests: Anyon optimization (#377) (@antoine-levitt) Use...