[CP2K:2809] Re: Applying electric field
teodor... at gmail.com
Thu Aug 19 15:32:29 CEST 2010
to make it more clear: with EXTERNAL_POTENTIAL you specify a potential
V(x,y,z) which provide an energy term E defined
as : E = \int \rho(x,y,z) V(x,y,z) dx dy dz
where \rho is the total density.
this should put you in the condition to proceed with your dimensional
> 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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