1. Run pwscf to obtain the ground state of diamond pw.xdiamond.scfscf.out 2. Run pwscf to obtain the Bloch states on a uniform k-point grid pw.xdiamond.nscfnscf.out 3. Run wannier90 to generate a list of the required overlaps (written into the diamond.nnkp file). wannier90.x -pp diamond 4. Run pw2wannier90 to compute the overlap between Bloch states and the projections for the starting guess (written in the diamond.mmn and diamond.amn files). pw2wannier90.xdiamond.pw2wanpw2wan.out 5. Run wannier90 to compute the MLWFs. wannier90.x diamond Tips: The pools are not implemented in pw2wannier90