IBSE: Difference between revisions
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{{TAGDEF|IBSE|0 {{!}} 1 | | {{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. | ||
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The following options are available to solve the Bethe-Salpeter or Casida equation: | The following options are available to solve the Bethe-Salpeter or Casida equation: | ||
*{{TAG|IBSE}} = 0: [[Bethe-Salpeter equations#Exact diagonalization|Exact diagonalization]] | *{{TAG|IBSE}} = 0: [[Bethe-Salpeter equations#Exact diagonalization|Exact diagonalization with old BSE driver]] | ||
*{{TAG|IBSE}} = 1: [[Bethe-Salpeter equations#Time evolution|Time evolution]] | *{{TAG|IBSE}} = 1: [[Bethe-Salpeter equations#Time evolution|Time evolution]] | ||
*{{TAG|IBSE}} = 2: [[Bethe-Salpeter equations#Exact diagonalization| Exact diagonalization]] | |||
*{{TAG|IBSE}} = 3: [[Bethe-Salpeter equations#Lanczos algorithm|Lanczos algorithm]] | |||
*{{TAG|IBSE}} = | |||
*{{TAG|IBSE}} = | {{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.}} | |||
{{NB|mind| | |||
== Related tag and articles == | == Related tag and articles == | ||
{{TAG|IBSE}}, | {{TAG|IBSE}}, | ||
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[[Time-dependent density-functional theory calculations]], | [[Time-dependent density-functional theory calculations]], | ||
[[Bethe-Salpeter equations]] | [[Bethe-Salpeter equations]] | ||
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[[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 = 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 are 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