[CP2K-user] QM/MM Mulitpole Rcut

[may...@gmail.com]

Hi,

Are there any guidelines to set the RCUT parameter in the QM/MM Multipole 
section?

https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/MULTIPOLE.html
  

Is the RCUT parameter here is equivalent to the FIST EWALD RCUT? In my case 
I have a larger MM box of 50*40*40 angstroms^3 and a smaller centered QM 
box of 40*30*30 angstroms^3, so in this case, the Multipole RCUT should be 
set to 19 angstroms (<R_min/2) or it is okay to set RCUT as same as FIST 
EWALD RCUT (~9-12 angstroms.)?

Best Regards,
Mayank Dodia
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