PSCF v1.3.3
Periodic Systems

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This chapter combines some general theoretical background about crystallography and periodic functions with more specific information about the conventions used by PSCF for crystal unit cells, space groups, and symmetry-adapted bases.

Contents:

  1. Crystal Unit Cells
  2. Space Groups
  3. Periodic Functions and Fourier Series
  4. Space Group Symmetry
  5. Symmetry-Adapted Fourier Bases


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