ESPRESSO¶
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).
Environment Modules¶
Run module spider ESPRESSO to find out what environment modules are available for this application.
System Variables¶
- HPC_ESPRESSO_DIR - installation directory
- HPC_ESPRESSO_BIN - executable directory
- ESPRESSO_PSEUDO - path to the pseudo directory