GLOBAL-LOCAL thermostat

simin pahlavi simin.... at gmail.com
Sun Sep 9 16:21:46 CEST 2018


Dear CP2k users
I have some general questions about thermostating and I appreciate any 
helps.
what is the difference between the global and local thermostat?  i went 
through the reference articles and I have noticed it is about different DOF 
to rescale but still it is wage for me.
When one should local and when global thermostat should be used?
In my project I am doing analyses on bond length of atoms in methanol  
molecule in NPT ensamble,
which kind of thermostat is more suitable in my case?
Thanks in advance
Best regards
Simin
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