CUTOFF SIGMA: Difference between revisions
No edit summary |
No edit summary |
||
| (One intermediate revision by one other user not shown) | |||
| Line 1: | Line 1: | ||
{{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|}} | ||
| Line 7: | Line 7: | ||
---- | ---- | ||
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 ({{TAG|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 08:01, 24 October 2025
CUTOFF_SIGMA = [real] ( [real] )
| Default: CUTOFF_SIGMA | = 0.1 |
Description: CUTOFF_SIGMA specifies the broadening [math]\displaystyle{ \sigma }[/math] 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 [math]\displaystyle{ \sigma }[/math] 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