Ab initio solids

For ab initio solids, we provide the following worked examples. In conjunction with SAFIRE, we use Quantum Espresso to perform DFT calculations, and Coquí to generate a Hamiltonian and write trial wavefunctions.

• 1. Si ground state energy and charge density
• 2. C ground state energy and Density
• 3. Momentum Distribution of solid Na
• 4. Bulk modulus of NaCl
• 5. Band gap of LiH
• 6. Magnetization of ???