BROADEN

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

Keywords

• TYPE

• VOIGT_MIXING

• WIDTH

Keyword descriptions

TYPE

Type: enum
Default: GAUSSIAN
Usage: TYPE GAUSSIAN

Description: Type of broadening function used to produce the DOS/PDOS curve.

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.

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VOIGT_MIXING

Type: real
Default: 5.00000000E-001
Usage: VOIGT_MIXING 0.5

Description: Lorentzian fraction of the pseudo-Voigt broadening function.

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WIDTH

Type: real
Default: 1.00000000E-001 [eV]
Usage: WIDTH [eV] 0.1

Description: Full width at half maximum (FWHM) of the DOS/PDOS broadening function.

Mentions: ⭐Density of States

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