012A0677-7AFC-420F-A735-3171FF373E47Development of wide-ranging functionality in ONETEPResearch GrantEP/G055904/1798CB33D-C79E-4578-83F2-72606407192CEPSRCINCOME_ACTUAL264861EF4B21B7-606D-487A-B0E2-4532207214AFLinear-scaling DFT + U with full local orbital optimizationPhysical Review B7e20529dbbb0717c12c173f131cc7df7O'Regan D2012-01-01http://dx.doi.org/10.1103/physrevb.85.085107http://dx.doi.org/10.1103/physrevb.85.0851078Journal Article/Reviewdoi_55f95d95d91b202c