NCRPA BANDS: Difference between revisions

Revision as of 06:50, 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.

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	[[Category:INCAR ~~tags~~]][[Category:Many-Body Perturbation Theory]][[Category:CRPA]][[Category:VASP6]]		[[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:CRPA]][[Category:VASP6]]