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First release of AiiDA-KKR
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@broeder-j broeder-j released this 03 May 08:03
· 1193 commits to master since this release
v0.1.0
872dadd

This release includes:

  1. AiiDA plugin for the voronoi construction of space-filling, atom centered cells.
  2. AiiDA plugin for the Screened Korringa-Kohn-Rostoker Electronic Structure Code for Bulk and Interfaces (kkr)
  3. It comes with an kkrimporter calculation importer
  4. Some first basic workchains.

For information on the KKR-code see: www.judft.de

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