NCRPA BANDS: Difference between revisions
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This tag is effective for {{TAG|ALGO}} | This tag is effective for {{TAG|ALGO|CRPA}} and ignored otherwise. | ||
For instance | For instance | ||
NCRPA_BANDS = 21 22 23 | NCRPA_BANDS = 21 22 23 | ||
removes all screening effects between bands 21, 22 and 23 | removes all screening effects between bands 21, 22 and 23 from the constrained random-phase approximation of the screened Coulomb interaction. | ||
== Related tags and articles == | == Related tags and articles == | ||
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{{sc|NCRPA_BANDS|Howto|Workflows that use this tag}} | {{sc|NCRPA_BANDS|Howto|Workflows that use this tag}} | ||
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]] | [[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]] | ||
Latest revision as of 09:57, 20 March 2026
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 from the constrained random-phase approximation of the screened Coulomb interaction.