Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA code.

Bosoni, E; Sanvito, S.

Affiliation

Bosoni E; School of Physics and CRANN, Trinity College, College Green, Dublin 2, Ireland.
Sanvito S; School of Physics and CRANN, Trinity College, College Green, Dublin 2, Ireland.

J Phys Condens Matter ; 34(10)2021 Dec 23.

Article in En | MEDLINE | ID: mdl-34879354

Key words

complex band structure; density functional theory; non-orthogonal basis sets

Full text: 1 Database: MEDLINE Language: En Year: 2021 Type: Article

Full text: 1 Database: MEDLINE Language: En Year: 2021 Type: Article