CH LSPEC: Difference between revisions

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Description: This flag controls whether the imaginary part of the dielectric function for a selected core electron is calculated and written to the {{TAG|OUTCAR}} file or not.  
Description: This flag controls whether the imaginary part of the dielectric function for a selected core electron is calculated and written to the {{TAG|OUTCAR}} file or not.  
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How to XAS spectra from core-hole calculations is explained here:  {{SCH calculations|SCH calculations}}
This feature is only available from VASP version 6.0 or higher.
This feature is only available from VASP version 6.0 or higher.



Revision as of 16:32, 6 December 2021

CH_LSPEC = [logical]
Default: CH_LSPEC = .FALSE. 

Description: This flag controls whether the imaginary part of the dielectric function for a selected core electron is calculated and written to the OUTCAR file or not.


How to XAS spectra from core-hole calculations is explained here: Template:SCH calculations

This feature is only available from VASP version 6.0 or higher.

Related Tags and Sections

CH_SIGMA,CH_NEDOS,ICORELEVEL,CLNT,CLN,CLL,CLZ

Examples that use this tag