BROADEN

Controls the line shape used for broadened DOS/PDOS curves. [Edit on GitHub]

Keywords

Keyword descriptions

TYPE: enum = GAUSSIAN

Usage: TYPE GAUSSIAN

Valid values:

  • GAUSSIAN Use a Gaussian broadening function.

  • LORENTZIAN Use a Lorentzian broadening function.

  • PSEUDO_VOIGT Use a pseudo-Voigt mixture of Lorentzian and Gaussian functions.

Type of broadening function used to produce the DOS/PDOS curve. [Edit on GitHub]

VOIGT_MIXING: real = 5.00000000E-001

Usage: VOIGT_MIXING 0.5

Lorentzian fraction of the pseudo-Voigt broadening function. [Edit on GitHub]

WIDTH: real = 1.00000000E-001 [eV]

Usage: WIDTH [eV] 0.1

Full width at half maximum (FWHM) of the DOS/PDOS broadening function. [Edit on GitHub]