[CP2K-user] QMMM: Does QM periodic in XYZ require mandatory WALLS in my case?

[longfei guo]

>
> Hi
>
  Sorry to bother you. I have a question. Where the number the MM_RADIUS 
1.21 of Al come from? I can't find that anywhere. In this page Radii for Al 
(ic.ac.uk) <http://abulafia.mt.ic.ac.uk/shannon/radius.php?Element=Al> , 
the radius is 0.39.
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q3
      ELEMENT Al
      MM_RADIUS 1.21
    &END KIND

Thank you advance 
Longfei
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210511/0ddab851/attachment.htm>