IBSE: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(5 intermediate revisions by the same user not shown)
Line 1: Line 1:
{{TAGDEF|IBSE|0 {{!}} 1 |2}}
{{TAGDEF|IBSE|0 {{!}} 1 {{!}} 2 {{!}} 3 |2}}


Description: {{TAG|IBSE}} can be used to select the algorithm for solving the Bethe-Salpeter or Casida equation.
Description: {{TAG|IBSE}} can be used to select the algorithm for solving the Bethe-Salpeter or Casida equation.
Line 8: Line 8:
*{{TAG|IBSE}} = 2: [[Bethe-Salpeter equations#Exact diagonalization| Exact diagonalization]]
*{{TAG|IBSE}} = 2: [[Bethe-Salpeter equations#Exact diagonalization| Exact diagonalization]]
*{{TAG|IBSE}} = 3: [[Bethe-Salpeter equations#Lanczos algorithm|Lanczos algorithm]]
*{{TAG|IBSE}} = 3: [[Bethe-Salpeter equations#Lanczos algorithm|Lanczos algorithm]]
{{NB|mind| {{TAGO|IBSE|2}} and {{TAGO|IBSE|3}} only available for VASP version 6.5.0 and above.}}
 
{{TAGO|IBSE|2}} and {{TAGO|IBSE|0}} yield exactly the same results but the old driver ({{TAGO|IBSE|0}}) is typically much slower and will be deprecated in the future.
{{NB|mind| {{TAGO|IBSE|2}} and {{TAGO|IBSE|3}} are only available for VASP version 6.5.0 and above.}}
== Related tag and articles ==
== Related tag and articles ==
{{TAG|IBSE}},
{{TAG|IBSE}},
Line 19: Line 21:
[[Time-dependent density-functional theory calculations]],
[[Time-dependent density-functional theory calculations]],
[[Bethe-Salpeter equations]]
[[Bethe-Salpeter equations]]
----
[[Category:INCAR tag]] [[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]

Latest revision as of 07:18, 20 December 2024

IBSE = 0 | 1 | 2 | 3
Default: IBSE = 2 

Description: IBSE can be used to select the algorithm for solving the Bethe-Salpeter or Casida equation.


The following options are available to solve the Bethe-Salpeter or Casida equation:

IBSE = 2 and IBSE = 0 yield exactly the same results but the old driver (IBSE = 0) is typically much slower and will be deprecated in the future.

Mind: IBSE = 2 and IBSE = 3 are only available for VASP version 6.5.0 and above.

Related tag and articles

IBSE, BSEPREC, NBANDSV, NBANDSO, CSHIFT, OMEGAMAX, BSE calculations, Time-dependent density-functional theory calculations, Bethe-Salpeter equations