Irvsp: To obtain irreducible representations of electronic states in the VASP - Gao, Jiacheng; Wu, Quansheng; Persson, Clas; Wang, Zhijun (Computer physics communications, 2021)
Keywords: First-principles calculations; Irreducible representations; Nonsymmorphic space groups; Plane-wave basis; Tight-binding hamiltonian; Topological materials; First-principles calculations; Irreducible representations; Tight-binding hamiltonian; Nonsymmorphic space groups; Topological materials; Plane-wave basis