[lammps-users] How to assign several dielectric constants

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1

Dear friends,

Can I assign several dielectric constants for different types of pair interactions in lammps?
There are more than one kinds of coulombic interactions in our system, for example,
in a system composed of silica and water, there are Si4+/O2-, O2-/H+ pair interactions, etc.
However, it seems that only one dielectric command can be used once in the input file, and
only one dielectric parameter can be assigned. How should I deal with such a problem?

Thank you very much!

Best regards,
Tianbao Ma

2

Dear friends,

Can I assign several dielectric constants for different types of pair interactions in lammps?
There are more than one kinds of coulombic interactions in our system, for example,
in a system composed of silica and water, there are Si4+/O2-, O2-/H+ pair
interactions, etc.
However, it seems that only one dielectric command can be used once in the input file, and
only one dielectric parameter can be assigned. How should I deal with such a problem?

this is not a problem. there is no reason to apply
different dielectric constants. just use the one for
vacuum and the system will take care of itself.

please keep in mind that the dielectric constant
is a property of the material results from its behavior
and not a parameter that determines its behavior.

cheers,
   axel.

3

You can't do that in LAMMPS.
I've never heard of a model where that would be a reasonable thing to do.

Steve