NCRPA_BANDS

From VASP Wiki

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 from the constrained random-phase approximation of the screened Coulomb interaction.

Related tags and articles

ALGO, NTARGET_STATES

Workflows that use this tag