triqs_dftkit.vasp.symmetry.read_vasp_symmetry

triqs_dftkit.vasp.symmetry.read_vasp_symmetry(vasp_h5)

Read the symmetry-relevant data from a vaspout.h5 file.

Returns a dict with:

n_k_ibz : number of irreducible k-points ibz_weights : (n_k_ibz,) IBZ k-point weights (sum to 1) ksymmap : (n_k,) index of the IBZ representative of each k-point R_cart : list of unique Cartesian point-group operations (3x3) positions : (natom, 3) fractional ion positions lattice : (3, 3) Cartesian lattice vectors (rows) type_of_ion : (natom,) integer ion-type index

or None if the file does not contain k-point symmetry data (no symmetry was used / not a symmetry-reduced run).