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Fiorentini and F Meloni Foreword page IX
Ph Ghosez X Gonze and J P Michenaud Interplay between the electronic
A Putrino and G B Bachelet Curvilinear coordinates for fullcore atoms
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61 Advances a-Si approximation atoms augmentation band gap basin basin of attraction basis set Berry phase Bloch blow-up instability bond Brillouin zone calculations charge density coatings Computational Materials Science-ll Conference Proceedings Vol configuration convergence corresponding CPMD cutoff defects dielectric displacement dynamical equation euclidean coordinates evolution exchange potential experimental ferroelectric field amplitude field instability film Fiorentini and F first-principles frequencies full-core grid Gygi Hankel functions Hartree-Fock infrared initial conditions instability threshold integral invariant subset investigated laser-induced lattice layer Lett linear LMTO macroscopic polarization matrix elements Meloni Eds method modes molecule Monte Carlo neutron nonlinear coefficient numerical obtained optical optical coatings orbitals parameters peak phonon Phys plane waves properties pseudopotential qmax radial radius refraction index resonant Resta self-consistent silicon simulation solid spectrum substrate synchronisation theory total energy transformation transition valence Vanderbilt variational Monte Carlo vibrational volume resolution wavefunctions