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This category consists of thermostats used in molecular dynamics calculations for the NVT ensemble and NpT ensemble.
The user can choose between stochastic thermostats:
Mind:All three thermostats are available in the NVT ensemble but currently only the Langevin thermostat is available for the NpT ensemble.
The following table gives an overview of the possible combination of ensembles and thermostats in VASP:
Thermostat Ensemble Andersen Nose-Hoover Langevin Multiple Andersen NVE MDALGO=1, ANDERSEN_PROB=0.0 NVT MDALGO=1 MDALGO=2 MDALGO=3 MDALGO=13 ISIF=2 ISIF=2 ISIF=2 ISIF=2 NpT not available not available MDALGO=3 not available ISIF=3 NpH MDALGO=3, ISIF=3, LANGEVIN_GAMMA_L=0.0
Pages in category "Thermostats"
The following 11 pages are in this category, out of 11 total.