All-electron DFT using the FLEUR code
14 Ottobre 2020 - 14 Ottobre 2020
Online, Italy
Within the zoo of different density functional theory methods frequently employed, the full-potential linearized augmented planewave (FLAPW) method is commonly considered as the approach able to provide the most precise results. Among the flagship codes developed within the MaX centre of excellence(si apre in una nuova finestra), the open-source code FLEUR code(si apre in una nuova finestra), implementing this method, can provide reference results and can be utilized to study details of the electronic, magnetic, and atomistic structure of complex materials. The code is able to treat bulk and film systems with all elements of the periodic table. Recently, major advances in the scalability, performance and applicability of the code have been achieved and made available in the MaX releases of the code.
On 14th of October 2020 at 11 AM (CEST), the 6th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "All-electron DFT using the FLEUR code"(si apre in una nuova finestra) will be held, featuring the FLEUR code.
Register now!(si apre in una nuova finestra)
The webinar will focus on the basic features and fundamentals of the FLEUR code. We will include an overview of the different types of simulations possible with the code, including its interfaces to other methods. The use of FLEUR on modern HPC systems including Tier-0 PRACE systems will also be covered in our presentation. Additionally, we aim at providing hints and instructions useful for deploying FLEUR on different systems, to overcome typical challenges and to identify the requirements for the usage of the code. Finally, we will point at possible further sources of information, documentation and support processes and outline our future plans.
Visit the official webinar page to register and see the exciting agenda(si apre in una nuova finestra) prepared for its attendees.
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MaX (MAterials design at the eXascale)(si apre in una nuova finestra) is a European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies.
www.max-centre.eu I www.linkedin.com/company/max-centre I @max_center2(si apre in una nuova finestra)
On 14th of October 2020 at 11 AM (CEST), the 6th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "All-electron DFT using the FLEUR code"(si apre in una nuova finestra) will be held, featuring the FLEUR code.
Register now!(si apre in una nuova finestra)
The webinar will focus on the basic features and fundamentals of the FLEUR code. We will include an overview of the different types of simulations possible with the code, including its interfaces to other methods. The use of FLEUR on modern HPC systems including Tier-0 PRACE systems will also be covered in our presentation. Additionally, we aim at providing hints and instructions useful for deploying FLEUR on different systems, to overcome typical challenges and to identify the requirements for the usage of the code. Finally, we will point at possible further sources of information, documentation and support processes and outline our future plans.
Visit the official webinar page to register and see the exciting agenda(si apre in una nuova finestra) prepared for its attendees.
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MaX (MAterials design at the eXascale)(si apre in una nuova finestra) is a European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies.
www.max-centre.eu I www.linkedin.com/company/max-centre I @max_center2(si apre in una nuova finestra)
Parole chiave
High-Performance Computing (HPC), Materials design, materials modelling, materials simulation, High Throughput Computing (HTC), materials science, data analytics, computational algorithms