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 | Description: Controls which bands are excluded in the constrained random phase approximation. Check also {{TAG|NTARGET_STATES}}. | ||
---- | ---- | ||
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For instance | For instance | ||
NCRPA_BANDS = 21 22 23 | NCRPA_BANDS = 21 22 23 | ||
removes all screening effects between bands 21, 22 and 23 in the | 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 tag]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]] | |||
[[Category:INCAR]][[Category:Many- | |||
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.