Can CP2K be used in finite electronic temperature DFT-MD calculation? if can, how to use?

[jian... at gmail.com]

Dear all,

When the MD simulation condition is high density (2-10 g/cm3), high 
temperature (10000-100000 K), and high pressure (about several to hundred 
GPa), such as the OXYGEN molecule in this condition.

And the question is the CP2K can simulate this condition, which need the 
temperature of electron and the oxygen is equivalent and the system is in 
the thermodynamic equilibrium? And if can, how to use, or which keyword of 
CP2K determine this condition?

 

Thanks!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150604/481e0328/attachment.htm>