CUTOFF SIGMA: Difference between revisions
(Document support for spin-polarized case) |
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The meaning of <math>\sigma</math> depends on the {{TAG|CUTOFF_TYPE}} tag. | The meaning of <math>\sigma</math> depends on the {{TAG|CUTOFF_TYPE}} tag. | ||
For spin-polarized calculations ({{ | 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. | If only a single value is specified, it will be used for both spin channels. | ||
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