NHC NS: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|NHC_PERIOD}}, {{TAG|NHC_NRESPA}},[[NHC thermostat]] | {{TAG|NHC_PERIOD}}, {{TAG|NHC_NRESPA}}, [[NHC thermostat]] | ||
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[[Category:INCAR tag]][[Category:Thermostats]] | [[Category:INCAR tag]][[Category:Thermostats]] | ||
Revision as of 13:32, 17 May 2023
{DISPLAYTITLE:NHC_NS}}
NHC_NS = [integer]
Default: NHC_NS = 1
Description: The number of subdivisions of each RESPA step used in the integration step used in propagation of thermostat variables in Nosé-Hoover–chain (NHC) thermostat.
The RESPA steps used in in propagation of thermostat variables in Nosé-Hoover–chain (NHC) thermostat are treated by Suzuki-Yoshida scheme, whereby each step is subdivided further into NHC_NS parts. First, fourth, and sixth order schemes with, respectively, 1, 3, and 7 steps are supported.
Related tags and articles
NHC_PERIOD, NHC_NRESPA, NHC thermostat