Module kpoints

Module kpoints 

Source
Expand description

k-point generation and Brillouin zone sampling utilities.

This module provides functions for generating k-point meshes in the Brillouin zone for numerical integration and band structure calculations. The k-points are uniformly distributed in reciprocal space.

§Examples

use ndarray::{array,Array2};
use Rustb::kpoints::gen_kmesh;

// Generate a 10×10 k-mesh for a 2D system
let kmesh:Array2<f64> = gen_kmesh(&array![10, 10]).unwrap();

Functions§

gen_kmesh
Generate a uniform k-point mesh in the Brillouin zone.
gen_krange