CUTOFF SIGMA: Difference between revisions

Latest revision as of 14:02, 27 June 2024

CUTOFF_SIGMA = [real] ( [real] )

Default: CUTOFF_SIGMA

= 0.1

Description: CUTOFF_SIGMA specifies the broadening $\sigma$ 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 $\sigma$ 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.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:CUTOFF_SIGMA}}
-{{TAGDEF|CUTOFF_SIGMA| [real]}}
+{{TAGDEF|CUTOFF_SIGMA| [real] ( [real] )}}
 {{DEF|CUTOFF_SIGMA|0.1|}}
-Description: {{TAG|CUTOFF_SIGMA}} Specifies a broadening <math>\sigma</math> in units of eV in for the cutoff function specified by {{TAG|CUTOFF_TYPE}}.
+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 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==
 {{TAG|CUTOFF_TYPE}},
 {{TAG|CUTOFF_MU}},
-{{TAG|CUTOFF_SIGMA}},
 {{TAG|LSCDM}},
 {{TAG|LOCPROJ}}