Kavli Affiliate: Kristin A. Persson | First 5 Authors: Guy C. Moore, Matthew K. Horton, Aaron D. Kaplan, Sinéad M. Griffin, Kristin A. Persson | Summary: In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on the projector augmented […]
Continue.. Realistic non-collinear ground states of solids with source-free exchange correlation functional