PHON_SIGMA

PHON_SIGMA = [real] 

Default: PHON_SIGMA

= 0.0005 eV

Description: Set the width of the Gaussian function in eV to compute the phonon density of states.

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The density of states is computed between $[{\omega }_{\text{min}}-5\sigma ,{\omega }_{\text{max}}+5\sigma ]$ with ${\omega }_{\text{min}}$ and ${\omega }_{\text{max}}$ the lowest and highest phonon frequency and $\sigma$ the broadening PHON_SIGMA. The number of energy points in this interval is set by PHON_NEDOS.

Mind: Only available as of VASP 6.4.0.

Related tags and articles

QPOINTS, PHON_NWRITE, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF

Examples that use this tag