CUTOFF SIGMA: Difference between revisions

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(Document support for spin-polarized case)
 
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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|}}


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Corresponds to a broadening of the cutoff function to be used in the
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

Examples that use this tag