Hello, A change in allocation has been requested: Requester: albezanilla (Alejandro Lopez Bezanilla) Project: STOandPlus Title: Ab initio calculations for transition metal oxides Description: We will require VASP code (licence already obtained), and abinit code. We do not expect special requirements to run these codes in parallel. Current: undetermined amount Justification: Requested: 150000 A specific reason has been given: The remaining 1570 will not be enough to complete the ongoing study on transition metal oxides. We are in the writing process of a manuscript but still need some additional computational time to achieve our final results. Expensive calculation based on the VASP code using up to 18 nodes in Blues for about 5 hours each job yield 1600 hours a single simulation. We still require about 40 launches to observe the evolution of an electronic state for different unit cell size parameters. Approximately 100000 will be devoted to this part of the study. In addition, 50000 are estimated for an exploration of magnetic properties of a similar oxide compound with the same code. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System