[QE-users] External forces energy

[Pietro Davide Delugas]

Hello
I guess this  is the variation of the potential energy of the external 
field; that is the work done by the external forces with the opposite sign.
If you have started the relaxation from a minimum of the internal 
forces, the external work should be positive and the change in the 
external potential energy negative.

best regards

Pietro


On 10/13/21 12:04 AM, Ronald Cohen wrote:
> I am unclear about the External forces energy when adding additional 
> ATOMIC_FORCES. In my case these are from an external electric field. 
> It seems to me the energy should go up when you add external forces, 
> not down, and yet I get
>
> External forces energy = -0.00347627 Ry
>
> Can anyone explain the logic?
>
> Thanks,
>
> Sincerely,
>
> Ron
>
> ---
> Ronald Cohen
> Extreme Materials Initiative
> Carnegie Institution for Science
> 5251 Broad Branch Rd., N.W.
> Washington, D.C. 20015
> rcohen at carnegiescience.edu <mailto:rcohen at carnegiescience.edu>
> office: 202-478-8937
> skype: ronaldcohen
> twitter: @recohen3
>
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