NHC_NS

From VASP Wiki
Revision as of 13:06, 6 November 2023 by Tbucko (talk | contribs)

{{TAGDEF|NHC_NS|[integer]1 | 3 | 7}|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[1][2], whereby each step is subdivided further into NHC_NS parts. First, fourth, and sixth order schemes with, 1, 3, and 7 steps, respectively, are supported.


Related tags and articles

NHC_PERIOD, NHC_NRESPA, NHC thermostat