Documentation

• Entering Crystal Structures
• Compute Irreducible Derivatives
  • LID Approach on NaCl at Second Order
  • Computing and analyzing error tails
  • Computing phonon dispersion and DOS
• Compute Phonon Linewidth and Thermal Conductivity
  • Phonon Linewidth
  • Thermal Conductivity
• Translation Group
  • Cluster Class
  • Lattice
  • Crystal and Finite Translation Group
  • Algorithm to find translation vectors of any given supercell
  • Algorithm to find the minimum supercell for a given list of \(\textbf{q}\)-points
  • \(Q\)-points at a given order and FTG
• Representation
  • Symmetry of atoms in a molecule
  • Symmetry of displacements of a molecule
  • Symmetry of Displacements of a Crystal
  • Direct product and symmetric direct product of irreducible representations
• Hamiltonian
  • Model Hamiltonian
  • Electron Hamiltonian - 1D Hubbard Model
  • Phonon Hamiltonian - Square Lattice
• Phonons and their interactions
  • Finite Displacements
  • Phonon Interaction Symmetry Analysis
  • Lone Irreducible Derivatives Approach
  • Bundled Irreducible Derivatives Approach
  • Phonon Linewidth and Thermal Conductivity
• Configuration
  • Options
• Command Line Interfaces
  • pm-periodica
  • pm-lid
  • pm-lid-mesh
  • pm-bid
  • pm-hsbid
  • pm-jobs
  • pm-convert-errortail
  • pm-plot-errortail
  • pm-phonon-band-dos
  • pm-plot-band
  • pm-conductivity
• Proposed changes to PM base code
  • array_io.py