Пакунок: quantum-espresso-data (6.4.1-1build2)

Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving, ultrasoft, and PAW).

This package contains a limited set of pseudo-potentials and example files.