IBSE: Difference between revisions
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*{{TAG|IBSE}} = 3: [[Bethe-Salpeter equations#Lanczos algorithm|Lanczos algorithm]] | *{{TAG|IBSE}} = 3: [[Bethe-Salpeter equations#Lanczos algorithm|Lanczos algorithm]] | ||
{{TAGO|IBSE|2}} and {{TAGO|IBSE|0}} yield exactly the same results but the old driver ({{TAGO|IBSE|0}}) is typically much slower. | {{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}} only available for VASP version 6.5.0 and above.}} | {{NB|mind| {{TAGO|IBSE|2}} and {{TAGO|IBSE|3}} only available for VASP version 6.5.0 and above.}} | ||
== Related tag and articles == | == Related tag and articles == | ||
Revision as of 10:26, 18 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 = 0: Exact diagonalization with old BSE driver
- IBSE = 1: Time evolution
- IBSE = 2: Exact diagonalization
- IBSE = 3: Lanczos algorithm
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 only available for VASP version 6.5.0 and above.
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Related tag and articles
IBSE, BSEPREC, NBANDSV, NBANDSO, CSHIFT, OMEGAMAX, BSE calculations, Time-dependent density-functional theory calculations, Bethe-Salpeter equations