[CP2K-user] output trajectory not periodic by setting "PERIODIC XYZ-POISSON"

lizzy bai baili... at gmail.com
Thu Dec 12 10:51:08 UTC 2019


Dear Users,

I am new to CP2K.
Now I am simulating the water-air system using AIMD.
In my input file, I set the keywords below. However, the output trajectory 
not periodic in any directions.


  &POISSON
       PERIODIC XYZ 
    &END

Does anyone know how to solve this problem? Thank you very much for any 
suggestion in advance.

Best Wishes

Liyi Bai
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191212/f850ef0b/attachment.htm>


More information about the CP2K-user mailing list