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Daubechies wavelets are a powerful systematic basis set for electronicstructure calculations because they are orthogonal and localized both in realand Fourier space. We describe in detail how this basis set can be used toobtain a highly efficient and accurate method for density functional electronicstructure calculations. An implementation of this method is available in theABINIT free software package. This code shows high systematic convergenceproperties, very good performances and an excellent efficiency for parallelcalculations.

Daubechies wavelets as a basis set for density functional pseudopotential calculations