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Davide Ceresoli's Projects

critic2 icon critic2

Analysis of quantum chemical interactions in molecules and solids.

libxc.jl icon libxc.jl

Julia wrapper around LibXC (library of DFT eXchange and Correlation functionals)

paoflow icon paoflow

Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)

q-e-d-c icon q-e-d-c

My own devel version of Quantum-Espresso

qe-gipaw icon qe-gipaw

QE-GIPAW for Quantum-Espresso (official repository)

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