Electronic Properties and Outputs

• Extracting Band Structure
• Calculating DOS and PDOS
  • DOS
  • PDOS
• Mulliken Charge Analysis
• Extracting Electrostatic Potential
• Extracting Wave Functions
  • wave function in G space
  • wave function in real space
• Extracting Charge Density
• Extracting Hamiltonian and Overlap Matrices
  • out_mat_hs
  • out_mat_hs2
  • get_S
  • examples
• Extracting Density Matrices
• Berry Phase Calculation