Published November 13, 2023
| Version v2.1.0
Software
Open
JuDFTteam/aiida-kkr: v2.1.0
Creators
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1.
Forschungszentrum Jülich
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2.
University of Würzburg
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3.
RWTH Aachen University
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4.
Heinrich Heine University Düsseldorf
Description
Important changes:
- add support for BdG calculations in impurity code
- add `imp_BdG` workflow
- some bugfixes
- allow to deactivate SOC in impurity run with new solver
- update tests to aiida-core v2.3.0
- update dependencies
- improve LDA+U capabilities
Files
aiida-kkr-2.1.0.zip
Files
(82.0 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:b861617979c4bbe3e73b8e1e347980a0
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82.0 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/JuDFTteam/aiida-kkr/tree/v2.1.0 (URL)