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