[CP2K:2806] Re: Applying electric field

Teodoro Laino teodor... at gmail.com
Thu Aug 19 11:56:27 UTC 2010

The final result must be in units of energy.
X,Y,Z (according the spatial dependence of your function) are intended 
to be in bohr.
What are the units of the constants/parameters in your function in only 
up to you (i.e.  Z*A + X*B : A has units of energy/distance and B the 
same [again X and Z are meant to be coordinates] - they can be 
eV/Angstrom or kcalmol/bohr or whatever..).


aarondesk wrote:
> That should be, I want to apply a field of +0.5 V/angs, but the units
> of the function are eV/angs, or it looks like a force is being applied
> rather than an electrical field. ???

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