QE type access

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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. XCrySDen, a crystalline and molecular structure visualization program, is also included.

More informations can be found here.

Input parameters

Before submitting the application, additional folders can be selected, in order to be available in the /work folder.

Examples can be found in $HOME/qe-6.5/test-suite.