ESF NINTER: Difference between revisions
(Created page with "{{TAGDEF|ESF_NINTER|[integer]|15}} Description: {{TAG|ESF_NINTER}} sets the number of interpolation steps for the tricubic spline interpolation in ACFDT/RPA calculations. ---- {{TAG|ESF_NINTER}} sets the number of tricubic interpolation steps in ACFDT/RPA calculations. This tag is used in conjunction with {{TAG|ESF_SPLINES}} and {{TAG|ESF_CONV}}. If {{TAG|ESF_SPLINES}}=T is set the RPA correlation energy is interpolated to finer k-point meshes using a tricubic s...") |
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{{TAGDEF|ESF_NINTER|[integer]|15}} | {{TAGDEF|ESF_NINTER|[integer]|15}} | ||
Description: {{TAG|ESF_NINTER}} sets the number of interpolation steps for the | Description: {{TAG|ESF_NINTER}} sets the maximum number of interpolation steps for the electronic structure factor ({{TAG|ESF_SPLINES}}). | ||
---- | ---- | ||
If | If the threshold set by {{TAG|ESF_CONV}} has not been reached within {{TAG|ESF_NINTER}} iterations VASP will print a warning about insufficient convergence. | ||
== Related tags and articles == | == Related tags and articles == | ||
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{{sc|ESF_SPLINES|Examples|Examples that use this tag}} | {{sc|ESF_SPLINES|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]][[Category:Low-scaling GW and RPA]] | |||
<!---[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]][[Category:Low-scaling GW and RPA]] | |||
Revision as of 07:29, 12 June 2024
ESF_NINTER = [integer]
Default: ESF_NINTER = 15
Description: ESF_NINTER sets the maximum number of interpolation steps for the electronic structure factor (ESF_SPLINES).
If the threshold set by ESF_CONV has not been reached within ESF_NINTER iterations VASP will print a warning about insufficient convergence.
Related tags and articles
ESF_SPLINES, ESF_CONV, LOPTICS