[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
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