LSCK: Difference between revisions

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{{TAGDEF|LSCK|[logical]| .FALSE.}}
{{TAGDEF|LSCK|[logical]| .FALSE.}}    
 
Up to vasp.6.2, the default was LSCK = .TRUE.
Description: {{TAG|LSCK}}=True switches on the use of the squeezed Coulomb kernel.
----Description: {{TAG|LSCK}}=.True. switches on the squeezed Coulomb kernel.
----
If {{TAG|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT|cosine window]] {{cite|riemelmoser:jcp:2020}}:
If {{TAG|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT|cosine window]] {{cite|riemelmoser:jcp:2020}}:



Revision as of 08:02, 29 August 2024

LSCK = [logical]
Default: LSCK = .FALSE.  Up to vasp.6.2, the default was LSCK = .TRUE.


Description: LSCK=.True. switches on 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