q-e-EPW¶

Description¶

Quantum ESPRESSO (EPW) is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. This explicit build includes the EPW (Electron-Phonon Wannier) 6.0 package with native NVIDIA CUDA GPU acceleration.

Environment Modules¶

Run module spider q-e-epw to find out what environment modules are available for this application.

Environment Variables¶

HPC_ESPRESSO_DIR - installation directory
HPC_ESPRESSO_BIN - executable directory
HPC_ESPRESSO_INC - includes directory
HPC_ESPRESSO_LIB - libraries directory

Categories¶

chemistry, modeling