[CP2K-user] Initial velocity of impinging molecule

Amin amin.ja... at gmail.com
Wed May 22 13:19:09 UTC 2019


Dear CP2K experts,

My question may seem very trivial but considering that I'm very new to the 
field of AIMD simulations with CP2K, I hope it can be bearable :)

How can I specify the initial velocity of an impinging molecule (toward the 
surface) while the rest of the system has zero initial velocity? 
I'm going to to AIMD bu using a GLE thermostat. I do appreciate any remark 
or advise.

All the best,

Amin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190522/a6fb6bfd/attachment.htm>


More information about the CP2K-user mailing list