Shared Facilities

Two 30 node computer clusters are used for computations. Available software for electronic structure calculations includes the Vienna Ab-Initio Simulation Package (VASP), the Layer Korringa-Kohn-Rostoker code, NW Chem, Atomistix Tool-kit, as well as locally written software. Magnetic simulations are performed with a locally written code (AlaMag), with a popular open source code (OOMMF), and with a commercial code (LLG). Finite element calculations of various types are performed with the FEMLAB package. Special computers with additional memory have been purchased to host the LLG and FEMLAB packages.