NCRPA BANDS: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 19: Line 19:
----
----


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

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.

Related tags and articles

ALGO, NTARGET_STATES

Examples that use this tag