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: Alejandro Lopez Bezanilla Applicant's institution: ANL Applicant's division: MSD Project Name: STOandPlus Project title: Ab initio calculations for transition metal oxides Associated funding: DOE Other Systems: MIRA, 5M hours Science: Within the framework of my postdoctoral contract under the supervision of P. Littlewood, we want to simulate the optical properties and persistent magnetization features of oxygen-deficient SrTiO3. The goal is to compute the electronic structure of STO with O vacancies, and observe the interplay between defects, magnetism, and light in oxide materials. Project description: We will require VASP code (licence already obtained), and abinit code. We do not expect special requirements to run these codes in parallel. Project URL: Requested allocation: 400000 Q1: 150000 Q2: 150000 Q3: 30000 Q4: 70000 Justification: 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