NCRPA BANDS: Difference between revisions
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{{DISPLAYTITLE:NCRPA_BANDS}} | {{DISPLAYTITLE:NCRPA_BANDS}} | ||
{{TAGDEF|NCRPA_BANDS|[integer array]}} | {{TAGDEF|NCRPA_BANDS|[integer array]}} | ||
Revision as of 15:57, 7 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.