TurboRVB user manuals

• TurboRVB in a nutshell
• Wavefunction
  • Wavefunction file format (fort.10)
  • Generate a Wavefunction file (makefort10.x)
• Initializations of Wavefunctions
  • External quantum chemistry and DFT codes (Gaussian, GAMESS, and pySCF)
  • Built-in DFT code (prep.x)
• Wavefunction conversions
  • Converting a WF to AGP (convertfort10.x)
  • Converting a WF to AGPn/SD (convertfort10mol.x)
• Quantum Monte Carlo calculations
  • Quantum Monte Carlo kernel (turborvb.x)
  • How to get energy and forces after a VMC or LRDMC run (forcevmc.sh, forcefn.sh)
  • Extrapolation of LRDMC energies with respect to the lattice space (funvsa.x)
  • How to average variational parameters after a VMCopt or LRDMCopt run (readalles.x)