[CP2K-user] [CP2K:16566] Cell vectors/box lengths in BOMD NPT simulation.

Niharendu Choudhury niharc2007 at gmail.com
Tue Feb 8 10:02:25 UTC 2022

Dear experts,
I am running BOMD in NPT ensemble for a simple 64 molecule water system. 
How can I get the Cell vectors/box lengths, a, b, c in every time step or 
every nth time steps?
What should be the command to write those values in a file as a function of 
time step?

Any prompt help is highly appreciated.

Niharendu Choudhury

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