CSVR timecon value

152 views
Skip to first unread message

Ada Sedova

unread,
May 4, 2018, 3:54:30 PM5/4/18
to cp2k
Hi,

A question about the TIMECON value used in the CSVR thermostat. First, I'm assuming this is the same as tau in his papers. Is this correct? Second, according to a slide deck by Bussi found online:

production-run values for TIMECON should be 1-100 fs. The default value, according the the CP2K manual, however, is 1000. I'm wondering why this is the default, would this be equivalent to no thermostat? What you get when you use values over 100? I tried 300 and I don't really notice a huge difference vs. 100.

Thanks,

AS 
Reply all
Reply to author
Forward
0 new messages