NCRPA_BANDS

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Revision as of 16:56, 6 April 2022 by Karsai (talk | contribs)


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