  We present a computational scheme for ab initio total-energy calculations of
materials with strongly interacting electrons using a plane-wave basis set. It
combines ab initio band structure and dynamical mean-field theory and is
implemented in terms of plane-wave pseudopotentials. The present approach
allows us to investigate complex materials with strongly interacting electrons
and is able to treat atomic displacements, and hence structural
transformations, caused by electronic correlations. Here it is employed to
investigate two prototypical Jahn-Teller materials, KCuF3 and LaMnO3, in their
paramagnetic phases. The computed equilibrium Jahn-Teller distortion and
antiferro-orbital order agree well with experiment, and the structural
optimization performed for paramagnetic KCuF3 yields the correct lattice
constant, equilibrium Jahn-Teller distortion and tetragonal compression of the
unit cell. Most importantly, the present approach is able to determine
correlation-induced structural transformations, equilibrium atomic positions
and lattice structure in both strongly and weakly correlated solids in their
paramagnetic phases as well as in phases with long-range magnetic order.
