Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Peter Littlewood Applicant's institution: ANL Applicant's division: PSE Project Name: Irridates Project title: Metal-insulator phase transitions in irridates Associated funding: DoE Other Systems: Science: Our goal is to investigate the role of the rare earth elements (R) in metal-insulator transitions of pyrochlore irridate compounds. Contrary to what expected, the R-dependence in a single-site DMFT calculation with local Coulomb interaction is very weak. We want to perform cluster DMFT calculations for three irridate compounds (Lu, Y, and Eu) with configuration-interaction-based exact diagonalization solvers. Project description: We will use MPI Fortran codes developed at Coulumbia University at NYC. Based on previous cluster DMFT calculations for a model tight binding Hamiltonian we estimate the CPU hours for a submitted job as 10k: 12 nodes * 16 cores per node (Blues) running for 48 hours. The work will be divided in multiple sets containing external parameters. Considering the limited resources, we will target parameters to solve instead of surveying entire phase diagram. Previous tests using thousands of cores simultaneously indicate that a better performance is achieved running jobs on hundreds of cores. The project is expected to have three members at most. Industry partnership: Project URL: Requested allocation: 350000 Q1: 0 Q2: 0 Q3: 0 Q4: 350000 Justification: Storage requirements: less that 1 TB The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System