Questaal Suite hands on workshop

We are announcing a Hands-on Workshop for Questaal (www.questaal.org), the CCP9 (www.ccp9.ac.uk) flagship code for computing electronic structure. The workshop will take place May 16-19, 2017 at Daresbury Laboratory, U.K. This is a great opportunity for young researchers to learn about advanced electronic structure. Organisers will cover local expenses.

Questaal is an all-electron code for solids, solving the electronic structure at different levels of theory, including Density Functional Theory, the Quasiparticle Self-Consistent GW approximation, and Dynamical Mean Field Theory. The basis set consists of generalized Linear Muffin Tin Orbitals, or a combination of these with Augmented Plane Waves.

The workshop will focus on hands-on tutorials, with detailed talks comparing density-functional and Green's function approaches to electronic structure. The hands-on part will consist of tutorials explaining how to use the different methods in various contexts. The afternoons will be dedicated to users trying out the codes in guided exercises, or topics of their own choosing.

The main codes demonstrated will be:

lmf (main density functional code)

QSGW package, including self-consistency and response functions

QSGW + DMFT package

lmgf and lmpg (ASA density functional codes well suited for spintronics applications)

Questaal is free to use; download it from the bitbucket repository https://bitbucket.org/account/signin/?next=/lmto/lm). We ask you to register; to get an account send email to Megan Grace-Hughes (megan.grace-hughes@kcl.ac.uk). The Questaal web site has documentation and many tutorials. Installation is generally easy and hassle-free; the bitbucket also has precompiled binaries for those wanting to try out a code with minimal effort. Bitbucket has a ticketing system to report problems.

Once Eventbrite ticketing is completed you will receive an email with additional information and requirements needed to complete registration.

FAQs

How can I contact the organiser with any questions?

For questions please contact Laurie van Schilfgaarde at laurie.van_schilfgaarde@kcl.ac.uk