What's Changed
- adapted wan2skeaf to pass the bxsf filename as a parameter by @npaulish in #2
- Different exit codes for errors when running wan2skeaf by @npaulish in #3
- Improved error handling and implemented possibility to use cold smearing while calculating the Fermi level by @npaulish in #4
- Fix bugs after the implementation of cold smearing by @npaulish in #5
- Avoid failing for empty SKEAF output files by @npaulish in #7
- New wan2skeaf in Julia with energy unit conversion from eV to Ry by @npaulish in #6
- Updates by @npaulish in #11
New Contributors
Full Changelog: https://github.com/aiidaplugins/aiida-skeaf/commits/v0.1.0
Contributors
npaulish