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PWscf, FPMD and CP (Democritos Package) Tutorial

PWscf, FPMD and CP (Democritos Package) Tutorial. Carlo Cavazzoni (High Performance Computing Group) CINECA. Outline. ab-initio simulations introduction PWSCF and Democritos package Installation Functionality Simple examples. The scope of computer simulation.

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PWscf, FPMD and CP (Democritos Package) Tutorial