[CP2K:5825] Box size in CP2K

[Bharat Sharma]

Hi Alex,
You can find VOLUME (search for keyword) in your output file. Can you
please post or send me here (bharats... at gmail.com) your NPT MD input
file. I had a problem of convergence of volume.

Thank you.

Bharat


On Thu, Nov 6, 2014 at 3:27 PM, Alex <nedo... at gmail.com> wrote:

> Hi all,
>
> This may be a strange question due to me not paying attention, but let's
> say I finished a NPT MD simulation and want to carry over the atomic
> positions & box setup to another CP2K simulation, or a different simulator
> altogether. The output I find in the XYZ file gives the atomic positions,
> but where do I get the box size at the last simulated step? Is there a
> special directive in CP2K?
>
> Thank you,
>
> Alex
>
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