ESF SPLINES

From VASP Wiki
Revision as of 12:25, 10 June 2024 by Kaltakm (talk | contribs) (Created page with "{{TAGDEF|ESF_SPLINES|.FALSE. {{!}} .TRUE. |.FALSE.}} Description: {{TAG|ESF_SPLINES}} selects k-point interpolation in ACFDT(R) calculations using tri-cubic splines. ---- Interpolates the electronic structure factor in ACFDT/RPA calculations using tri-cubic splines to accelerate k-point convergence of the RPA correlation energy. This feature follows the same idea as in coupled cluster calculations.{{cit...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

ESF_SPLINES = .FALSE. | .TRUE.
Default: ESF_SPLINES = .FALSE. 

Description: ESF_SPLINES selects k-point interpolation in ACFDT(R) calculations using tri-cubic splines.


Interpolates the electronic structure factor in ACFDT/RPA calculations using tri-cubic splines to accelerate k-point convergence of the RPA correlation energy. This feature follows the same idea as in coupled cluster calculations.[1]

Related tags and articles

ESF_CONV, ESF_NITER, LOPTICS

Examples that use this tag