[Pw_forum] how to cite pwscf

Nicola Marzari marzari at MIT.EDU
Tue Mar 4 17:56:10 CET 2008

Dear all,

the question was raised a few days ago on how to cite work done
using Quantum-ESPRESSO.

Indeed, it would be very useful if we had a consistent standard,
and it's indeed very helpful you actively cite the code in papers
published (the only way to have citations count is to have a paper 
describing the code - we are working on this).

For the time being, I'd invite everyone to use the standard
described below, that we all agreed upon - you'll note that
it highlights the work that Paolo Giannozzi has put in all
these years in coordinating and overseeing the efforts
in PWscf, CP, and everything else (without forgetting everyone
else - the paper describing the code will take care of this).

So, for the time being, let's all cite the code as either

[SHORT] P. Giannozzi et al., http://www.quantum-espresso.org.

[LONG] {\sc Quantum-ESPRESSO} is a community project for high-quality
quantum-simulation software, based on density-functional theory, and
coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org
and http://www.pwscf.org.

Note the form {\sc Quantum-ESPRESSO} for textual citations of the code.

Pseudopotentials should be cited as

[PSEUDO] We used the pseudopotentials C.pbe.rrjkus.UPF
and O.pbe.vbc.UPF from the http://www.quantum-espresso.org

Last, you are all welcome to contribute to the wiki page, and in
particular update the section on papers published using


Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

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