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Releases: aiidaplugins/aiida-skeaf

v0.1.0

21 Aug 18:55

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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