Yugui Yao

An efficient method for hybrid density functional calculation with spin-orbit coupling

Hong Guo, Maoyuan Wang, Gui-Bin Liu, 2017, Comput. Phys. Commun..

First-principles calculation of Z2 topological invariants within the FP-LAPW formalism

Di Xiao, Jun Wen, Yugui Yao, 2012, Comput. Phys. Commun..