5.27.2. io.gth.read_gth¶

eminus.io.gth.read_gth(atom, charge=None, psp_path='pbe')[source]¶

Read GTH files for a given atom.

Reference: Phys. Rev. B 54, 1703.

Parameters:

atom – Atom name.

Keyword Arguments:

charge – Valence charge.
psp_path – Path to GTH pseudopotential files. Defaults to installation_path/psp/pbe.

Returns:

GTH parameters.