Improving the Computational Efficiency and Accuracy of Projector Augmented Wave Datasets

Kanchan Sarkar, Columbia University, Applied Physics and Applied Mathematics, New York, NY, United States, Natalie A. W. Holzwarth, Wake Forest University, Department of Physics, Winston-Salem, NC, United States and Renata Wentzcovitch, University of Minnesota Twin Cities, Minneapolis, MN, United States