PHON SIGMA: Difference between revisions
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{{DEF|PHON_SIGMA|0.0005 eV|}} | {{DEF|PHON_SIGMA|0.0005 eV|}} | ||
Description: | Description: Set the width of the Gaussian function in eV to compute the phonon density of states. | ||
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Latest revision as of 08:58, 20 February 2024
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.
The density of states is computed between [math]\displaystyle{ [\omega_{\text{min}}-5\sigma,\omega_{\text{max}}+5\sigma] }[/math] with [math]\displaystyle{ \omega_{\text{min}} }[/math] and [math]\displaystyle{ \omega_{\text{max}} }[/math] the lowest and highest phonon frequency and [math]\displaystyle{ \sigma }[/math] 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