Solid-State Systems¶

This section covers workflows specific to periodic solid-state systems.

Available Workflows¶

• Supercell Construction:
  Setting up the simulation cell for periodic calculations.

• VMC Optimization:
  Optimizing the wavefunction for solids, including finite-size corrections.

• DMC Equation of State:
  Calculating the energy vs. volume curve to determine lattice parameters and bulk moduli.

• Defect Calculation:
  Calculating formation energies of point defects.