Achieving band convergence by tuning the bonding ionicity in n-type Mg3Sb2. - Xin Sun; Xin Li 083; Jiong Yang; Jinyang Xi; Ryky Nelson; Christina Ertural; Richard Dronskowski; Weishu Liu 002; Gerald J. Snyder; David J. Singh; Wenqing Zhang (J. Comput. Chem., 2019)

LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. - Ryky Nelson; Christina Ertural; Janine George; Volker L. Deringer; Geoffroy Hautier; Richard Dronskowski (J. Comput. Chem., 2020)