CSHIFT: Difference between revisions
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{{TAG|LNABLA}} | {{TAG|LNABLA}} | ||
== | == Example Calculations using this Tag == | ||
{{TAG|bandgap of Si in GW}}, {{TAG|dielectric properties of Si}}, {{TAG|dielectric properties of SiC }} | {{TAG|bandgap of Si in GW}}, {{TAG|dielectric properties of Si}}, {{TAG|dielectric properties of SiC }} | ||
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Revision as of 11:54, 15 February 2017
CSHIFT = [real]
| Default: CSHIFT | = OMEGAMAX*1.3 / max(NOMEGA,40) | for GW calculations |
| = 0.1 | for linear response calculations |
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.
Related Tags and Sections
OMEGAMIN, OMEGAMAX, LOPTICS, LNABLA
Example Calculations using this Tag
bandgap of Si in GW, dielectric properties of Si, dielectric properties of SiC