CUTOFF SIGMA: Difference between revisions
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{{DISPLAYTITLE:CUTOFF_SIGMA}} | {{DISPLAYTITLE:CUTOFF_SIGMA}} | ||
{{TAGDEF|CUTOFF_SIGMA| [real]}} | {{TAGDEF|CUTOFF_SIGMA| [real] ( [real] )}} | ||
{{DEF|CUTOFF_SIGMA|0.1|}} | {{DEF|CUTOFF_SIGMA|0.1|}} | ||
Description: {{TAG|CUTOFF_SIGMA}} specifies | Description: {{TAG|CUTOFF_SIGMA}} specifies the broadening <math>\sigma</math> in eV for the cutoff function specified by {{TAG|CUTOFF_TYPE}}. | ||
---- | ---- | ||
Corresponds to a broadening of the cutoff function | Corresponds to a broadening of the cutoff function used in the [[Wannier_functions#One-shot_single_value_decomposition (SVD)| one-shot method]] to obtain Wannier functions. | ||
[[Wannier_functions#One-shot_single_value_decomposition (SVD)| one-shot method]] to obtain Wannier functions. | The meaning of <math>\sigma</math> depends on the {{TAG|CUTOFF_TYPE}} tag. | ||
The meaning depends on the {{TAG|CUTOFF_TYPE}} tag. | |||
For spin-polarized calculations ({{TAGO|ISPIN|2}}), two values can be specified for {{TAG|CUTOFF_SIGMA}}, one for each spin channel. | |||
If only a single value is specified, it will be used for both spin channels. | |||
== Related tags and articles== | == Related tags and articles== | ||
Latest revision as of 14:02, 27 June 2024
CUTOFF_SIGMA = [real] ( [real] )
| Default: CUTOFF_SIGMA | = 0.1 |
Description: CUTOFF_SIGMA specifies the broadening in eV for the cutoff function specified by CUTOFF_TYPE.
Corresponds to a broadening of the cutoff function used in the one-shot method to obtain Wannier functions. The meaning of depends on the CUTOFF_TYPE tag.
For spin-polarized calculations (ISPIN = 2), two values can be specified for CUTOFF_SIGMA, one for each spin channel.
If only a single value is specified, it will be used for both spin channels.
Related tags and articles
CUTOFF_TYPE, CUTOFF_MU, LSCDM, LOCPROJ