[QE-developers] Request Quantum Espresso update documentation to release 7.4.1

[Balboa, Alex CIV USARMY DEVCOM CBC (USA)]

Friday 22 August 2025 1500 hours

QUANTUM ESPRESSO foundation
CNR-IOM DEMOCRITOS National Simulation Center in Trieste (Italy) and its partners, in collaboration with different centers worldwide such as MIT, Princeton University, the University of Minnesota and the École Polytechnique Fédérale de Lausanne.

Dear QUANTUM ESPRESSO foundation members,

Just noted that:

Quantum ESPRESSO version 7.4.1 available for download
14 March 2025
The new Quantum ESPRESSO version 7.4.1 is now available on the download page. Released in November 2024, QE version 7.4 has undergone a brief staging period, and this latest dot release introduces essential bug fixes and enhancements. Download it now to experience the improvements firsthand!

Time permitting, respectfully request to please consider updating the documentation listed below to reflect these latest improvements?

Thanks,

Sincerely,

Alex Balboa, Ph.D. (Clarkson University), AB (Princeton University)

Chemist

Protective Materials Development Branch, Protection Division, R&O Directorate, Combat Capabilities Development Command Chemical Biological Center (DEVCOM Chemical Biological Center), U.S. Army Combat Capabilities Development Command, U.S. Army Futures Command, U.S. Department of the Army, U.S. Department of Defense

ATTN: FCDD-CBR-PF

Bldg E3400, Room 413A

8198 Blackhawk Road,

Aberdeen Proving Ground-Edgewood Area, MD 21010-5424

MS Teams: + 1520672-3439

Telephone: (410)436-5913 DSN 584-5913

Email: alex.balboa.civ at army.mil<mailto:alex.balboa.civ at army.mil>
xxxx
Quantum ESPRESSO (v.7.3.1)
https://www.quantum-espresso.org/Doc/user_guide_PDF/user_guide.pdf
https://www.quantum-espresso.org/Doc/user_guide/

PWscf (PW), Plane-Wave Self-Consistent Field
PWscf User’s Guide (v.7.2)
https://www.quantum-espresso.org/Doc/pw_user_guide/
https://www.quantum-espresso.org/Doc/user_guide_PDF/pw_user_guide.pdf

CP (CPV), Car-Parrinello Molecular Dynamics
CP's user guide (v.7.2)
https://www.quantum-espresso.org/Doc/cp_user_guide/cp_user_guide.html
https://www.quantum-espresso.org/Doc/user_guide_PDF/cp_user_guide.pdf

PostProc (PP), post-processing and analysis Tools
PostProc User's Guide (v.7.2)
https://www.quantum-espresso.org/Doc/pp_user_guide/
https://www.quantum-espresso.org/Doc/user_guide_PDF/pp_user_guide.pdf

PHonon, phonons with Density-Functional Perturbation Theory
PHonon User's Guide (v. 7.2)
https://www.quantum-espresso.org/Doc/ph_user_guide/
https://www.quantum-espresso.org/Doc/user_guide_PDF/ph_user_guide.pdf

PWneb (NEB), Nudged Elastic Band
PWneb User's Guide (v. 7.2)
https://www.quantum-espresso.org/Doc/neb_user_guide/
https://www.quantum-espresso.org/Doc/user_guide_PDF/neb_user_guide.pdf

QE-modes, Emacs major-modes for editing QE input files
QE-emacs-modes User’s Guide (v.7.2)
https://www.quantum-espresso.org/Doc/user_guide_PDF/qe_emacs_modes_user_guide.pdf
https://www.quantum-espresso.org/Doc/user_guide_PDF/qe_emacs_modes_user_guide.pdf

Hubbard Input
New DFT+Hubbard input in Quantum ESPRESSO (since v.7.1)
https://www.quantum-espresso.org/Doc/user_guide_PDF/Hubbard_input.pdf

Constraints (how to)
How to implement new constraints into Quantum ESPRESSO Carlo Sbraccia March 30, 2023
https://www.quantum-espresso.org/Doc/user_guide_PDF/constraints_HOWTO.pdf

Brillouin Zones
Points inside the Brillouin zone
https://www.quantum-espresso.org/Doc/user_guide_PDF/brillouin_zones.pdf

Notes on pseudopotential generation
Paolo Giannozzi Universit`a di Udine URL: http://www.fisica.uniud.it/∼giannozz February 28, 2019
https://www.quantum-espresso.org/wp-content/uploads/2022/03/pseudo-gen.pdf

Quick reference guide for metadynamics with PLUMED
Changru Ma SISSA, Trieste March 30, 2011
https://www.quantum-espresso.org/wp-content/uploads/2022/03/plumed_quick_ref.pdf
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