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

[Niharendu Choudhury]

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.

Regards
Niharendu Choudhury

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/d341cd59-0058-4e3e-bd01-cb8c84cd1cf4n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220208/b13de864/attachment.htm>