NCRPA BANDS: Difference between revisions

Latest revision as of 08:49, 21 February 2024

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.

@@ Line 1: / Line 1: @@
+{{DISPLAYTITLE:NCRPA_BANDS}}
 {{TAGDEF|NCRPA_BANDS|[integer array]}}
-Description: Controls which bands are excluded in CRPA. Check also {{TAG|NTARGET_STATES}}.
+Description: Controls which bands are excluded in the constrained random phase approximation. Check also {{TAG|NTARGET_STATES}}.
 ----
+This tag is effective for {{TAG|ALGO}}=CRPA and ignored otherwise.
 For instance
-  NCRPA_BAND = 21 22 23
+  NCRPA_BANDS = 21 22 23
-removes all screening effects between bands 21, 22 and 23 in the RPA. This tag is effective for {{TAG|ALGO}}=CRPA and ignored otherwise.
+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 articles ===
 {{TAG|ALGO}},
 {{TAG|NTARGET_STATES}}
@@ Line 15: / Line 18: @@
 ----
-[[The VASP Manual|Contents]]
+[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]]
-[[Category:INCAR]]