  Ab initio determination of model Hamiltonian parameters for strongly
correlated materials is a key issue in applying many-particle theoretical tools
to real narrow-band materials. We propose a self-contained calculation scheme
to construct, with an ab initio approach, and solve such a Hamiltonian. The
scheme uses a Wannier-function-basis set, with the Coulomb interaction
parameter U obtained specifically for these Wannier functions via constrained
Density functional theory (DFT) calculations. The Hamiltonian is solved by
Dynamical Mean-Field Theory (DMFT) with the effective impurity problem treated
by the Quantum Monte Carlo (QMC) method. Our scheme is based on the
pseudopotential plane-wave method, which makes it suitable for developments
addressing the challenging problem of crystal structural relaxations and
transformations due to correlation effects. We have applied our scheme to the
"charge transfer insulator" material nickel oxide and demonstrate a good
agreement with the experimental photoemission spectra.
