NCRPA BANDS: Difference between revisions
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{{TAGDEF|NCRPA_BANDS|[integer array]}} | {{TAGDEF|NCRPA_BANDS|[integer array]}} | ||
Description: Controls which bands are excluded in | Description: Controls which bands are excluded in the constrained random phase approximation. Check also {{TAG|NTARGET_STATES}}. | ||
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For instance | For instance | ||
NCRPA_BANDS = 21 22 23 | NCRPA_BANDS = 21 22 23 | ||
removes all screening effects between bands 21, 22 and 23 in the | removes all screening effects between bands 21, 22 and 23 in the random phase approximation of the screened Coulomb interaction. | ||
=== Related Tags and Sections === | === Related Tags and Sections === | ||
Revision as of 16:28, 5 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.