7.2. RESPACK Interface

This section describes how to use DFT-derived effective models with \({\mathcal H}\Phi\). The downfolding calculation is performed by RESPACK, and the resulting lattice model parameters are used as input for \({\mathcal H}\Phi\).

• 7.2.1. Overview
  • Prerequisite
• 7.2.2. Tutorial
  • SCF calculation of charge density
  • (Optional) Band structure
  • Kohn-Sham orbitals for Wannier
  • Wannier function, dielectric function, effective interaction
  • Quantum lattice mode for HPhi/mVMC
• 7.2.3. Input parameters for Standard mode
• 7.2.4. File format
  • Geometry
  • Hopping, Coulomb, exchange integrals, charge densities
• 7.2.5. Contact