SectionOutput Type integer Default lorentzian_smearing
This is the function used to smear the energy levels in the DOS calculation.
Options:
fermi_dirac:
Simple Fermi-Dirac distribution. In this case, DOSGamma has
the meaning of an electronic temperature. DN Mermin, Phys. Rev.137, A1441 (1965).
cold_smearing:
N Marzari, D Vanderbilt, A De Vita, and MC Payne, Phys. Rev. Lett.82, 3296 (1999).
methfessel_paxton:
M Methfessel and AT Paxton, Phys. Rev. B40, 3616 (1989).
The expansion order of the polynomial is fixed to 1.
Occupations may be negative.
spline_smearing:
Nearly identical to Gaussian smearing.
JM Holender, MJ Gillan, MC Payne, and AD Simpson, Phys. Rev. B52, 967 (1995).