[Kpoints]: Brillouin zone¶
Brillouin zone parameters for self-consistent calculations.
Parameter |
Type |
Default |
Description |
|---|---|---|---|
mesh_size |
<integer vector(3)> |
NONE |
Size of the \(k\)-point mesh in each direction |
bz_type |
<string> |
ibz |
Type of the Brillouin zone: ibz, fbz |
time_reversal |
<logical> |
yes |
Time reversal symmetry: yes, no |
Notes:¶
in the context of calculations wihtout spin-orbit coupling the time reversal symmetry only determines whether a full BZ or just a half of it should be used
in case of Bloch spectral function calculations a specific k-mesh is defined by parameters in the [BSF] section and [Kpoints] parameters are ignored