Tau p

tau_p sets the time coupling constant, in fs, for the barostat. Note that for barostating one also needs to define a compressibility scale through gamma_p.

Summary

Summary for tau_p keyword

Required/optional	Type	Accepted values	Default	See also
Optional	Real	Any positive real	100.	barostat, p_beg, p_end, gamma_p

Example

barostat = "berendsen"
barostat_sym = "iso"
p_beg = 10. # in bar
p_end = 10. # in bar
tau_p = 100. # in fs
gamma_p = 10. # in units of the inverse compressibility of water