NCRPA BANDS: Difference between revisions

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{{DISPLAYTITLE:NCRPA_BANDS}}
{{TAGDEF|NCRPA_BANDS|[integer array]}}
{{TAGDEF|NCRPA_BANDS|[integer array]}}
Description: Controls which bands are excluded in CRPA. Check also {{TAG|NTARGET_STATES}}.
 
Description: Controls which bands are excluded in the constrained random phase approximation. Check also {{TAG|NTARGET_STATES}}.


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This tag is effective for {{TAG|ALGO}}=CRPA and ignored otherwise.


For instance  
For instance  
  NCRPA_BAND = 21 22 23  
  NCRPA_BANDS = 21 22 23  
removes all screening effects between bands 21, 22 and 23 in the RPA. This tag is effective for {{TAG|ALGO}}=CRPA and ignored otherwise.
removes all screening effects between bands 21, 22 and 23 in the random phase approximation of the screened Coulomb interaction.  


=== Related Tags and Sections ===  
=== Related tags and articles ===  
{{TAG|ALGO}},
{{TAG|ALGO}},
{{TAG|NTARGET_STATES}}
{{TAG|NTARGET_STATES}}
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[[The VASP Manual|Contents]]
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]]
 
[[Category:INCAR]]

Latest revision as of 08:49, 21 February 2024

NCRPA_BANDS = [integer array] 

Description: Controls which bands are excluded in the constrained random phase approximation. Check also NTARGET_STATES.


This tag is effective for ALGO=CRPA and ignored otherwise.

For instance

NCRPA_BANDS = 21 22 23 

removes all screening effects between bands 21, 22 and 23 in the random phase approximation of the screened Coulomb interaction.

Related tags and articles

ALGO, NTARGET_STATES

Examples that use this tag