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bjmorgan/bsym
Group theory

As I understand there is no internal library of point group operations or character tables included. Could these be imported from spglib?
  • aronwalsh
  • 4
  • Opened 
    on Aug 17, 2017
  • #3

bjmorgan/bsym
Configuration degeneracy

In the materials notebook example, it is not an error, but the configuration degeneracy depends on the route: Sequential substitutions: [4, 4, 4, 1, 2] Simultaneous substitutions: [64, 64, 64, 16, 32] ...
  • aronwalsh
  • 1
  • Opened 
    on Aug 17, 2017
  • #2

bjmorgan/bsym
Missing module

bsym.interface.pymatgen is used in the example notebook, but does not appear to be in the current pip release (it is in the GitHub version)
  • aronwalsh
  • 1
  • Opened 
    on Aug 17, 2017
  • #1
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