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
[email protected] <mailto:[email protected]>
office: 202-478-8937
skype: ronaldcohen
twitter: @recohen3
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