LSCK: Difference between revisions

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[[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:ACFDT]]
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]]

Revision as of 10:05, 19 July 2022

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

Description: LSCK=True switches on the use of the squeezed Coulomb kernel.


If LSCK is set to .TRUE., the squeezed Coulomb kernel is used instead of the cosine window [1]:

This kernel 'squeezes' the contributions from large wave vectors into the window given by ENCUTGWSOFT. Effectively, this extrapolates the random-phase-approximation–correlation energy to the ENCUTGW limit, assuming that the basis-set-incompleteness error falls off as ENCUTGW.

Related tags and articles

ENCUTGW, GW calculations ACFDT/RPA calculations

Examples that use this tag