NCRPA BANDS: Difference between revisions
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[[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 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.