Read K-points Symmetries

class MagInt.Read_kp_sym.read_kp_sym(general_par)

Calculate the full Brillouin zone mesh from VASP and Wien2k.

For Wien2k, the class reads k-points in the Irreducible Brillouin Zone (IBZ) from the case.klist file. The symmetry operations are taken from the case.dmftsym file to determine the full Brillouin zone mesh.

For VASP, the full Brillouin zone is directly available in the IBZKPT file.

__init__(general_par)

Initialize the class based on the specified DFT software.

Parameters:

general_par (dict): Dictionary containing:

• ‘filename’ (str): Name of the file.

• ‘dft_exec’ (str): Name of the DFT software (‘Wien2k’ or ‘Vasp’).

• ‘folder’ (str, optional): Relevant folder for VASP. Not used for Wien2k.

• ‘verbosity’ (int): Verbosity level.

filename (str, optional): File name, if specified. This argument is optional

and defaults to None if not provided.