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PHON NEDOS: Difference between revisions

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{{DEF|PHON_NEDOS|2000|}}
{{DEF|PHON_NEDOS|2000|}}


Description: {{TAG|PHON_NEDOS}} sets the number of frequency points to use in the computation of the phonon density of states.
Description: Sets the number of frequency points to compute the phonon density of states.


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Latest revision as of 08:59, 20 February 2024

PHON_NEDOS = [integer] 

Default: PHON_NEDOS = 2000

Description: Sets the number of frequency points to compute the phonon density of states.


The density of states is computed between [ωmin5σ,ωmax+5σ] with ωmin and ωmax the lowest and highest phonon frequency and σ the broadening PHON_SIGMA.

Related tags and articles

QPOINTS, PHON_NWRITE, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF

Examples that use this tag