em

Full name: ase2sprkkr.asr.emasses.em

ase2sprkkr.asr.emasses.em(kpts_kv, eps_k, bandtype=None, ndim=3)[source]

TODO: Do me.

Parameters:
  • kpts_kv ((nk, 3)-shape ndarray) – k-points in cartesian coordinates (in units of 1 / Bohr)

  • eps_k ((nk,)-shape ndarray) – eigenvalues (in units of Hartree)

Returns:

out

  • effective masses in units of m_e

  • eigenvectors in cartesian coordinates

  • k-pot extremum in cartesian coordinates (units of 1 / Bohr)

Return type:

dct