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Quantum ESPRESSO (QE) is
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an integrated suite of codes for electronic structure calculations and materials modeling at the nanoscale, based on DFT, plane waves, and pseudopotentials. |
QE is an open initiative, in collaboration with many groups world-wide, coordinated by the Quantum ESPRESSO Foundation.
Documentation and other material can be found on the QE website.
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Only members of the q_espr user group have access to QE executables provided by HLRN. To have their user ID included in this group, users can send a message to their consultant or to HLRN our support.
Modules
The environment modules shown in the table below are available to include executables of the QE distribution in the directory search path. To see what is installed and what is the current default version of QE at HLRN, a corresponding overview can be obtained by saying module avail qe.
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