Wannier Developers Meeting 2024 (PSI, Switzerland)

Events, News | February 14, 2024

The 2024 Wannier Developers Meeting was held 12-16 February at the Paul Scherrer Institute, Switzerland.

One of the key focusses of this meeting was preparation of the Wannier90 code for its forthcoming next major release (v4.0). This release will feature a library interface to Wannier90 functionality that is capable of being invoked by an external calling program in a parallel (MPI) environment, with significant changes to the structure of the code since the last release (v3.1.0).

We are grateful to PSI and MARVEL for funding.

Wannier developers standing on terrace

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Wannier Developers Meeting 2023 (Daresbury Laboratory, Warrington UK)

Events, News | May 31, 2023

The 2023 Wannier Developers Meeting was held 15-19 May at the Daresbury Laboratory.

The meeting encompassed the wider ecosystem of Wannier-related activity, and representatives of the many different code projects making use of MLWFs were invited to participate. The aims of the meeting, in addition to code development, were foster collaboration, knowledge exchange and community building among the different code projects and activities.

The event was run as a workshop for software development and comprised a mixture of talks, discussions about ongoing and prospective developments, and time dedicated to concentrated team-oriented programming.

We are grateful to CCP9 and CECAM for funding.

More details are available at the event webpage.

Wannier developers standing in front of mill

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Wannier developers sitting at a table

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Wannier 2022 Summer School (and Developers Meeting)

Events, News | January 28, 2022

The “Wannier 2022 Summer School” will be held at ICTP (Trieste, Italy) from 16 to 20 May 2022 (and “Wannier 2022 Developers meeting the following week).

This 5-day school is designed to allow participants to join both in-person and online, and consists of lectures and hands-on sessions on a wide range of electronic-structure methods based on Wannier functions. It includes highlight talks by distinguished speakers that provide a historical and broad perspective on WFs in electronic structure, dedicated lectures to the theory and methods of WFs, as well as hands-on tutorials at the basic and advanced level.

The event targets graduate students, early-career scientists, and experienced users. The program covers a wide range of complex materials properties using various software packages (Wannier90, ASE, PythTB, Z2Pack, WannierTools, WannierBerri, AiiDA, EPW, TRIQS). Detailed information on the school (including the school topics and the list of invited speakers) can be found on the event page.

Note that the registration is not open yet but will open in a few days, so we suggest that you monitor the website if you are interested in applying. The application deadline is 20 March 2022.
As regards the COVID-19 policy, we advise you to follow the updated rules for entry in Italy, also available on the ICTP page “Access Guidelines for Visitors”. In particular, applicants should check whether they have to undergo a quarantine period at the time of arrival.

Finally, we mention that the school will be followed the week after (23-27 May 2022) by the Wannier 2022 Developers Meeting, devoted to fostering integration between several packages composing the Wannier software ecosystem. More information can be found on the Wannier 2022 Developers Meeting event page. Also for the Developers Meeting, the application deadline is 20 March 2022.

School on Wannier90 v3.0: new features and applications, 25-27th March 2020 – Virtual Edition

Events, News | March 13, 2020

Due to ongoing concerns related to the coronavirus pandemic, we have taken the decision to cancel the physical meeting of the School on “Wannier90 v3.0: new features and applications” (25-27th March 2020, Oxford), and to run a “Virtual Edition” online on the same dates.

Talks will be given via videoconference with Zoom [1] (which has clients for most mobile and desktop platforms). Hands-on tutorials will also be held virtually, with participants running tutorials on their own computers within the Quantum Mobile virtual machine [2]. Tutorial materials will be made available online to everybody after the event, and we will also record some selected talks and sessions to be shared online afterwards. The new schedule for the Wannier90 School can be found below.

[Update: here is the link to the Materials Cloud Learn section, containing videos of the talks by the speakers, and the hands-on tutorial materials].

By converting the Wannier90 School to an online event, we are able to accommodate around 10 additional participants for the talks and hands-on sessions.

We ask people who are interested in participating in this Virtual Edition of the Wannier90 School to complete this google form by the deadline of Wednesday 18th March 23:59 AoE [3].

For participants who were previously accepted to the School, we kindly ask that they re-register using this new form by the same deadline (and they will be automatically accepted). In this case, just write “Already accepted” in the fields asking for explanation of your motivation.

We will inform accepted participants by Friday 20th March, including technical details about how to connect online.

We hope that the new format of the event will be effective and prove useful not only to participants but also to the broader community when the course materials are made more widely available. We also hope that it may serve as a template for future events that either cannot be held in person or that desire wider participation of researchers for whom travel is more difficult.

For any queries related to the Wannier90 school, please contact us at [email protected]

  • Organisers: Nicola Marzari, Arash Mostofi, Giovanni Pizzi, Ivo Souza, Valerio Vitale, Jonathan Yates
  • Speakers: Arash Mostofi, QuanSheng Wu, Yusuke Nomura, Anil Damle, Giovanni Pizzi, Roxana Margine, Jonathan Yates
  • Tutors: Ivo Souza, QuanSheng Wu, Yusuke Nomura, Valerio Vitale, Anil Damle, Giovanni Pizzi, Antimo Marrazzo, Junfeng Qiao, Roxana Margine, Samuel Poncé

[1] https://zoom.us
[2] https://www.materialscloud.org/work/quantum-mobile; a release candidate of version 20.03.0 is being tested, and the release version will be available prior to the School.
[3] https://time.is/Anywhere_on_Earth

Description of the event

Over the last few years, Wannier90 has undergone a transition from a code developed by a small group of developers to a community code with a much wider developers base. In response, the code has grown significantly, gaining many novel features contributed by this community. The culmination of all these contributions has been the release of a new version of the Wannier90 code (version 3.0) with a new website for the occasion (www.wannier.org) and a collaborative article [Pizzi et al., Wannier90 as a community code: new features and applications, J. Phys. Condens. Matter 32, 165902 (2020)].

In this 3-day school, we aim to present the state-of-the-art functionalities of the Wannier90 code, with a particular focus on the latest developments (topological, transport and optical properties; automated Wannier functions; high throughput calculations) to both new and experienced users, and developers alike. Each day will involve lectures on selected topics and hands-on tutorials.

Schedule (click to enlarge)

Paper describing v3.0 of Wannier90 now published

News | January 23, 2020

We are very happy to announce that the paper describing v3.0 of the Wannier90 code, how it transitioned to a community code, and all new features has now been published. You can find the full reference below.

We appreciate if you could cite this paper in all publications resulting from your use of Wannier90.

G. Pizzi, V. Vitale, R. Arita, S. Blügel, F. Freimuth, G. Géranton, M. Gibertini, D. Gresch, C. Johnson, T.Koretsune, J. Ibañez-Azpiroz, H. Lee, J. M. Lihm, D. Marchand, A. Marrazzo, Y. Mokrousov, J. I. Mustafa, Y. Nohara, Y. Nomura, L. Paulatto, S. Poncé, T. Ponweiser, J. Qiao, F. Thöle, S. S. Tsirkin, M. Wierzbowska, N. Marzari, D. Vanderbilt, I. Souza, A. A. Mostofi, and J. R. Yates, Wannier90 as a community code: new features and applications, J. Phys. Cond. Matt. 32, 165902 (2020); doi:10.1088/1361-648X/ab51ff