CSHIFT: Difference between revisions
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Description: {{TAG|CSHIFT}} sets the (small) complex shift η in the [[LOPTICS#kramerskronig|Kramers-Kronig transformation]]. | Description: {{TAG|CSHIFT}} sets the (small) complex shift η in the [[LOPTICS#kramerskronig|Kramers-Kronig transformation]]. | ||
---- | ---- | ||
The default {{TAG|CSHIFT}}=0.1 is perfectly acceptable for most calculations and causes a slight smoothening of the real part of the dielectric function. If the gap is very small (i.e. approaching two times {{TAG|CSHIFT}}), slight inaccuracies in the static dielectric constant are possible, which can be remedied by decreasing {{TAG|CSHIFT}}. If {{TAG|CSHIFT}} is further decreased, it is strongly recommended to increase the parameter {{TAG|NEDOS}} to values around 2000. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|LOPTICS}} | {{TAG|LOPTICS}} | ||
Revision as of 14:38, 18 February 2011
CSHIFT = [real]
Default: CSHIFT = 0.1
Description: CSHIFT sets the (small) complex shift η in the Kramers-Kronig transformation.
The default CSHIFT=0.1 is perfectly acceptable for most calculations and causes a slight smoothening of the real part of the dielectric function. If the gap is very small (i.e. approaching two times CSHIFT), slight inaccuracies in the static dielectric constant are possible, which can be remedied by decreasing CSHIFT. If CSHIFT is further decreased, it is strongly recommended to increase the parameter NEDOS to values around 2000.