NCRPA BANDS

From VASP Wiki
Revision as of 12:36, 9 July 2018 by Kaltakm (talk | contribs) (Created page with "{{TAGDEF|NCRPA_BAND|[integer array]}} Description: Controls which bands are excluded in CRPA. Check also {{TAG|NTARGET_STATES}}. ---- For instance NCRPA_BAND = 21 22 23 r...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

NCRPA_BAND = [integer array]  Description: Controls which bands are excluded in CRPA. Check also NTARGET_STATES.


For instance

NCRPA_BAND = 21 22 23 

removes all screening effects between bands 21, 22 and 23 in the RPA. This tag is effective for ALGO=CRPA and ignored otherwise.

Related Tags and Sections

ALGO, NTARGET_STATES

Examples that use this tag


Contents