[CP2K-user] [CP2K:17773] FIXED_ATOMS and MULTIPLE_UNIT_CELL
mdsimula...@gmail.com
mdsimulationgroup at gmail.com
Wed Sep 28 17:07:00 UTC 2022
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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