embands

Full name: ase2sprkkr.asr.emasses.embands

ase2sprkkr.asr.emasses.embands(gpw, soc, bandtype, delta=0.1)[source]

Effective masses for bands within delta of extrema.

Parameters:
  • gpw (str) – name of gpw filename

  • soc (bool) – include spin-orbit coupling

  • bandtype ('vb' or 'cb') – type of band

  • efermi (float, optional) – fermi level (takes it from gpw if None)

  • delta (float, optional) – bands within this value (in eV) is included in the em fit default is 0.1 eV