NCRPA BANDS: Difference between revisions
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(Hyphenate "constrained random-phase approximation") |
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{{TAGDEF|NCRPA_BANDS|[integer array]}} | {{TAGDEF|NCRPA_BANDS|[integer array]}} | ||
Description: Controls which bands are excluded in the constrained random phase approximation. Check also {{TAG|NTARGET_STATES}}. | Description: Controls which bands are excluded in the constrained random-phase approximation. Check also {{TAG|NTARGET_STATES}}. | ||
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Revision as of 09:17, 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 in the random phase approximation of the screened Coulomb interaction.