NCRPA BANDS: Difference between revisions
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{{DISPLAYTITLE:NCRPA_BANDS}} | |||
{{TAGDEF|NCRPA_BANDS|[integer array]}} | {{TAGDEF|NCRPA_BANDS|[integer array]}} | ||
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removes all screening effects between bands 21, 22 and 23 in the random phase approximation of the screened Coulomb interaction. | removes all screening effects between bands 21, 22 and 23 in the random phase approximation of the screened Coulomb interaction. | ||
=== Related | === Related tags and articles === | ||
{{TAG|ALGO}}, | {{TAG|ALGO}}, | ||
{{TAG|NTARGET_STATES}} | {{TAG|NTARGET_STATES}} | ||
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---- | ---- | ||
[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:CRPA]][[Category:VASP6]] | [[Category:INCAR tags]][[Category:Many-Body Perturbation Theory]][[Category:CRPA]][[Category:VASP6]] | ||
Revision as of 16:56, 6 April 2022
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.