[CP2K:2809] Re: Applying electric field

Teodoro Laino teodor... at gmail.com
Thu Aug 19 15:25:55 CEST 2010


as the name says "EXTERNAL_POTENTIAL" it sums to the Hamiltonian a 
potential (i.e. energy term).
I don't see all this confusion. If I write the potential in this way:

V(x,y,z)= A*EXP(-b/Z)

A has units of energy
and b of distance (angstrom or bohr)

I don't see nowhere here either field units or potential units.

As I said before the net result must be an energy unit. that's all.
Teo

aarondesk wrote:
> Therein lies my confusion. Electrical fields are in units of V/angs
> (or V/m), while eV/angs are units of force. What is the connection
> between the two? Does EXTERNAL_POTENTIAL apply a real electrical
> field, or simply an force on the atomic nuclei?
>
> Thank you.
>
>   




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