[CP2K:2806] Re: Applying electric field
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..).
> 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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