Quantum_espresso
Standorte und Versionen:
Hauptversion 5
5.3.0 TU Dresden
5.1.2 TU Dresden
5.0.3 TU Dresden
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 and ultrasoft). (Source: https://github.com/easybuilders/easybuild-easyconfigs )
Passende Version nicht gefunden? Schreiben Sie uns.