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Quantum ESPRESSO is an integrated suite of open-source computer codes
for electronic-structure calculations and materials modeling at the nanoscale.
It is based on density-functional theory, plane waves, and pseudopotentials.
Quantum ESPRESSO has evolved into a distribution of independent and
inter-operable codes in the spirit of an open-source project. The Quantum
ESPRESSO distribution consists of a "historical" core set of components, and
a set of plug-ins that perform more advanced tasks, plus a number of third-party
packages designed to be inter-operable with the core components. Researchers
active in the field of electronic-structure calculations are encouraged to
participate in the project by contributing their own codes or by implementing
their own ideas into existing codes.
You probably also need to install the Quantum ESPRESSO pseudopotentials library:
quantum-espresso-pseudopotentials (science/quantum-espresso-pseudopotentials).
WWW: https://www.quantum-espresso.org/
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