quantum-espresso-pseudopotentials
g20220916Pseudopotentials for use with Quantum Espresso
quantum-espresso-pseudopotentials contains pseudopotentials that are normally needed in order to run quantum chemistry computations in the Quantum Espresso suite. 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.
Origin: science/quantum-espresso-pseudopotentials
Category: science
Size: 3.75GiB
License: GPLv2
Maintainer: yuri@FreeBSD.org
Dependencies: 0 packages
Required by: 0 packages
Website: www.quantum-espresso.org
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