[DFTB-Plus-User] Nose-Hoover,CouplingStrength

刘雷 luminescence at ciomp.ac.cn
Mon Nov 12 07:57:41 CET 2012


Dear All:
  I am a new user of DFTB+. I want to calculate finite-temperature structures of SiC using Molecular dynamics with NVT.
The thermostat I want to use is NoseHoover{},but I don't understand the meaning of the parameter "CouplingStrength".
What value should I set for this "CouplingStrength" ?

Wang Dandan
Graduate Student
Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences,






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