OpenMX/QMAS workshop 2010


The 2nd hand-on workshop on electronic structure methods implemented in OpenMX and QMAS codes will be held at the JAIST satellite campus in Tamachi, Tokyo, in March 2010.

After the 1st workshop held in April 2008, OpenMX and QMAS have been developed in many aspects and applied to a wide variety of materials. Thus, 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 first 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 Tokyo, March 2010.