Dear Quantum Espresso experts Is there any implementation of Tran-Blaha modified Becke-Johnson potential (TB-mBJ) on Quantum Espresso?
Thanks a Lot!! Em sex, 25 de jan de 2019 às 09:01, < [email protected]> escreveu: > Send users mailing list submissions to > [email protected] > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.quantum-espresso.org/mailman/listinfo/users > or, via email, send a message with subject or body 'help' to > [email protected] > > You can reach the person managing the list at > [email protected] > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of users digest..." > > > Today's Topics: > > 1. Tutorial on writing reproducible workflows for computational > materials science using AiiDA (Leopold Talirz) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 24 Jan 2019 19:15:46 +0100 > From: Leopold Talirz <[email protected]> > To: [email protected] > Subject: [QE-users] Tutorial on writing reproducible workflows for > computational materials science using AiiDA > Message-ID: > < > cajnv91hmcxb5g1kapb8abwxbt2k56vqmshwjfvqjzmdq5ob...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear mailing list, > > we'll be hosting a tutorial on writing reproducible workflows for > computational materials science from May 21st, 2019 (9:00) until May 24th, > 2019 (13:00) at EPFL, Lausanne, Switzerland. > > This 3.5-day tutorial is designed to get Master students, PhD students and > Postdocs from the field of computational materials science started with > writing reproducible workflows. Participants will be introduced to the > state of the art in workflow management and high-throughput computations by > experts in the field, and gain in-depth hands-on experience using a tool > that they can directly apply to their own research. > > Our tool of choice is the AiiDA framework (see aiida.net) for workflow > management and provenance tracking, which is backed by a significant > community of users and developers, and has interfaces to more than 20 > materials science codes (see plugin registry), including to the ab initio > codes Quantum ESPRESSO, VASP, cp2k, Castep, Siesta, Fleur, Crystal, NWChem, > Wannier90, and Yambo. AiiDA?s permissive open source license (MIT) enables > participants to use it both in academic and commercial settings. By virtue > of its general design and flexible plugin system, AiiDA is easily extended > to new codes and new use cases. > > For more information, please head over to the tutorial web site: > http://www.aiida.net/news/tutorial-writing-reproducible-workflows/ > > Looking forward to meeting you in Lausanne! > Leopold > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://lists.quantum-espresso.org/pipermail/users/attachments/20190124/e1a8e778/attachment-0001.html > > > > ------------------------------ > > Subject: Digest Footer > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > ------------------------------ > > End of users Digest, Vol 138, Issue 24 > ************************************** >
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