BSEPREC: Difference between revisions
(Created page with "{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}} Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and T...") |
(No difference)
|
Revision as of 08:50, 20 October 2023
BSEPREC = Low | Medium | High | Accurate
Default: BSEPREC = Medium
Description: BSEPREC determines the precision for the time-evolution calculation in BSE and TDDFT, i.e., the step size and the number of steps.
The timestep size in the time-evolution calculation is inversely proportional to the maximum transition energy OMEGAMAX and the number of steps is inversely proportional to the broadening CSHIFT. BSEPREC defines
BSEPREC OMEGAMAX CSHIFT Accurate (a) ×4 ×10 High (h) ×3 ×7.5 Medium (m) ×2.5 ×6.25 Low (l) ×2 ×5
Related tag and articles
NBANDSO, BSE calculations, timepropagation