NHC NCHAINS: Difference between revisions

Latest revision as of 10:04, 24 April 2023

NHC_NCHAINS = [integer]
Default: NHC_NCHAINS = 0

Description: Length of the Nosé-Hoover chain.

NHC_NCHAINS sets the length of the chain for the Nosé-Hoover–chain (NHC) thermostat. Typically, this tag is set to a value between 1 and 5. The maximal allowed value is 20.

In case NHC_NCHAINS=0, the thermostat is switched off and the underlying dynamics generate a microcanonical (NVE) ensemble. NHC_NCHAINS=1 corresponds to the standard Nosé-Hoover thermostat.

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 {{TAGDEF|NHC_NCHAINS|[integer]|0}}
-The flag controls the length of chain in {{TAG|NHC_thermostat}} thermostat. Typically, this flag is set to a value between 1 and 5, the maximal allowed value is 20. In the special case of {{TAG|NHC_NCHAINS}}=0, the thermostat is switched off. The underlying dynamics thus generate a microcanonical ensemble. Another special case of {{TAG|NHC_NCHAINS}}=1 corresponds to the standard Nose-Hoover thermostat.
+Description: Length of the Nosé-Hoover chain.
+----
+{{TAG|NHC_NCHAINS}} sets the length of the chain for the  [[Nose-Hoover-chain thermostat|Nosé-Hoover–chain (NHC) thermostat]]. Typically, this tag is set to a value between 1 and 5. The maximal allowed value is 20.
+In case {{TAG|NHC_NCHAINS}}=0, the thermostat is switched off and the underlying dynamics generate a [[NVE ensemble|microcanonical (NVE) ensemble]]. {{TAG|NHC_NCHAINS}}=1 corresponds to the [[Nose-Hoover thermostat|standard Nosé-Hoover thermostat]].
+== Related tags and articles ==
+{{TAG|NHC_PERIOD}}, [[NHC thermostat]]
+----
+[[Category:INCAR tag]][[Category:Thermostats]]