v2.3.0

What's Changed

• Avoid unnecessary errors when launching Wannier90OptimizeWorkChain … by @npaulish in #40
• Enable spin orbit calculation by @jiang-yuha0 in #35
• Update the reference files for tests. by @jiang-yuha0 in #43
• Update python support and package dependencies. by @jiang-yuha0 in #42
• Allow shifting bands plot with different Fermi energies by @qiaojunfeng in #41
• Allow skipping nscf step by @qiaojunfeng in #45
• Update dependency versions by @qiaojunfeng in #48
• Remove deprecated file by @qiaojunfeng in #52
• Add semicore for PseudoDojo/0.4/PBEsol/FR/standard/upf by @qiaojunfeng in #44
• Fix override errors. by @jiang-yuha0 in #53
• Bug fix: wrong output bands by @jiang-yuha0 in #46
• Update handler_overrides format by @jiang-yuha0 in #54
• Simplify get_builder_from_protocol in ProjwfcBandsWorkChain by @t-reents in #56

New Contributors

• @jiang-yuha0 made their first contribution in #35
• @t-reents made their first contribution in #56

Full Changelog: v2.2.0...v2.3.0

v2.2.0

What's Changed

• Support more workchains in CLI saveinputs by @qiaojunfeng in #23
• Remove deprecated validate_inputs_base by @mbercx in #17
• when computing band_distance allow for gaussian weight distribution around the FL by @npaulish in #27
• Add input for guiding centres by @qiaojunfeng in #26
• Fix CLI plot checkerboard command by @qiaojunfeng in #28
• bug fix for gaussian weighted band_distance by @npaulish in #29
• Fix codecov by @qiaojunfeng in #32
• Various fixes to improve robustness of workchain inputs validation by @qiaojunfeng in #31
• 📚 Fix autodoc reference warnings by @mbercx in #38
• Add support for PseudoDojo v0.5 standard/stringent by @mbercx in #34
• ♻️ Refactor Wannier90WorkChain.get_builder_from_protocol() by @mbercx in #37
• Clean up README.md & update authorship by @qiaojunfeng in #39

New Contributors

• @mbercx made their first contribution in #17
• @npaulish made their first contribution in #27

Full Changelog: v2.1.0...v2.2.0

v2.1.0

Support AiiDA v2.0

v2.0.0b1

Release for Wannier 2022 Summer School