Published June 1, 2020
| Version v0.0.7
Software
Open
JuliaMolSim/DFTK.jl v0.0.7
Description
- Feature: Chi0 application including Sternheimer contributions (#158, #207, #217)
- Revamp of documentation (#196, #229, #233, #239)
- Bugfix: Semicore and fullcore swapped in
list_psp(#197) - Performance Improvements in Hamiltonian application and LOBPCG (#198, #199, #204, #206)
- Automatic eigensolver tolerance adjustments for performance (#205)
- Forces bugfix (#209)
- Refactor PlaneWaveBasis (#210)
- Lock into US spelling inside the code (#212)
- Use default mixing parameters from Kresse Furtmüller paper (#216)
- Kpoint symmetry related cleanups and bugfixes (#222, #227, #234, #237)
- Ensure zero Kerker DC component (#223)
Files
JuliaMolSim/DFTK.jl-v0.0.7.zip
Files
(379.2 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.0.7 (URL)