OpenMX/QMAS workshop 2008


The 1st hand-on workshop on electronic structure methods implemented in OpenMX and QMAS codes will be held at Japan Advanced Institute of Science and Technology (JAIST), Nomi, Ishikawa, Japan, in April 2008.

Since a few years ago, both the codes, OpenMX and QMAS, have been developed by collaboration works in an Asian community. We now think that it would be nice to provide 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 based on the density functional theory to local density approximation (LDA), generalized gradient approximation, and LDA+U. 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. Thus, they are complemental each other with respect to the computational time and accuracy.

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. In addition, a tutorial course for beginners will be held in the final day, including installation, running test jobs, and how to handle input and output files.

We hope that the OpenMX/QMAS workshop can offer a good opportunity for development of electronic structure calculations, and look forward to seeing you in JAIST, April 2008.