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: | 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: 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