BANDSTRUCTURE

Parameters needed to set up a calculation for electronic level energies of molecules and the electronic band structure of materials from post-SCF schemes (GW, perturbative spin-orbit coupling from GTH pseudopotentials), and Floquet band structures as response to continuous driving with light. [Edit on GitHub]

Subsections

• BANDSTRUCTURE_PATH
• DOS
• FLOQUET
• GW
• SOC

Keywords

• SECTION_PARAMETERS

Keyword descriptions

SECTION_PARAMETERS

Type: logical
Default: F
Lone keyword: T

Description: Controls the activation of the band structure calculation. [Edit on GitHub]