Ab initio density functional theory (DFT) with local
density approximation (LDA) or generalized gradient approximation
(GGA) has been applied to investigate many physical properties
of a wide variety of solids with tremendous success in the past
decades. Nevertheless, most electronic structure methods used so far
to carry out the DFT calculations have suffered from the fundamental
problem of the cubic-scaling, and hence are not applicable to large
complex systems such as nano-materials and biomolecules. Therefore,
there has been considerable effort in recent years to develop
alternative fast linear-scaling (O(N)) electronic structure methods.
The OpenMX code is one of the two freely available program packages
in the world that implement the O(N) methods. In this mini-school, Professor Taisuke Ozaki from Japan Advanced Institute of Science
and Technology (JAIST), the author of the OpenMX, will give three
comprehesive lectures on both the theoretical foundations and
practical aspects of the OpenMX code.