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

Vladimir Rybkin rybk... at gmail.com
Thu Dec 12 13:25:13 UTC 2019

Dear Liyi Bai,

the .xyz files are unwrapped. And they should not look periodic as they 
represent only one (unit) cell. So, there's no problem.



четверг, 12 декабря 2019 г., 11:51:08 UTC+1 пользователь lizzy bai написал:
> 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.
>        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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