The 3rd OpenMX/QMAS workshop 2015

Preface

The 3rd hands-on workshop on electronic structure methods implemented in OpenMX and QMAS codes will be held at the Institute for Solid State Physics (ISSP), the University of Tokyo, Japan, in 11-13 May, 2015.

Since the 1st workshop held in April 2008, followed by the 2nd in May 2010, we have been continuously developing both the codes, OpenMX and QMAS, to extend the applicability towards realization of more realistic simulations. We would think that it is a proper time to offer an opportunity for active developers, users, and beginners to get together and to exchange ideas, leading to advanced applications and further development of codes.

Both the codes are implementations of the density functional theories (DFT) with different flavors. OpenMX is based on numerical atomic basis functions and norm-conserving pseudopotential, while QMAS employs the projector augmented wave (PAW) method with the plane-wave basis. We expect that participants may find difference and similarity between both the methods, and each virtue by the joint workshop which has been realized by the friendship between developers of OpenMX and QMAS.

This workshop is aimed at promoting development of the codes and the active community, and at handing on both the methodologies and the usage of codes to a wide variety of participants from universities, institutes, and industrial companies around the world.

The workshop will highlight not only the methodological aspects and details of codes, but also its advanced applications ranging from stongly correlated systems and technologically important materials.

We hope that the 3rd OpenMX/QMAS workshop 2015 can offer a good opportunity for development of electronic structure calculations, and look forward to seeing you at ISSP, May 2015.