21 April 2023

Quantum ESPRESSO version 7.2 now available

New features, bug fixes and other improvements have been implemented in this new version.

The Quantum ESPRESSO suite, an open-source set of computer codes for electronic-structure calculations and materials modeling at the nanoscale, keeps being developed and incorporating new features. 

The recently released new 7.2 version consolidates the methodological developments introduced in recent versions with more improvements and extensions and with several bug fixes. The porting to accelerated architectures (GPUs) has been extended to many more codes of the suite, notably the phonon and time dependent DFT codes. The resulting distribution is much improved in terms of performances on GPUs and portability to different architectures. Moreover, it ensures better maintainability in view of future developments and architectural evolutions.

Find here the release notes.