[CP2K-user] [CP2K:17775] Re: FIXED_ATOMS and MULTIPLE_UNIT_CELL

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Wed Sep 28 18:03:34 UTC 2022


Ok, I tested if the two worked together and they do not.

On Wednesday, September 28, 2022 at 1:07:01 PM UTC-4 mdsimula... at gmail.com 
wrote:

> Hi,
>
> If I define fixed atoms for a single unit cell and then use 
> multiple_unit_cell, will those atom numbers translate to the new supercell?
>
> Thanks,
> Frank
>

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